4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(5-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;bis(2-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);2-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;6-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide;6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1-oxide;2-tert-butyl-5-methylidene-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide;2-tert-butyl-8-methylidene-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidine 8-oxide;(2-tert-butyl-1,3-thiazol-5-yl)-methyl-methylidene-oxo-λ6-sulfane

C187H273N23O16S17 — CID 160700704

IUPAC4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(5-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;bis(2-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);2-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;6-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide;6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1-oxide;2-tert-butyl-5-methylidene-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide;2-tert-butyl-8-methylidene-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidine 8-oxide;(2-tert-butyl-1,3-thiazol-5-yl)-methyl-methylidene-oxo-λ6-sulfane
SMILESC=S(C)(=O)c1cnc(C(C)(C)C)s1.C=S1(=O)CCCc2cc(C(C)(C)C)ncc21.C=S1(=O)CCCc2cnc(C(C)(C)C)cc21.C=S1(=O)CCCc2cnc(C(C)(C)C)nc21.C=S1(=O)CCCc2nc(C(C)(C)C)ncc21.C=S1(=O)CCc2cc(C(C)(C)C)ncc21.C=S1(=O)CCc2cc(C(C)(C)C)ncc21.C=S1(=O)CCc2cc(C(C)(C)C)ncc2C1.C=S1(=O)CCc2ccnc(C(C)(C)C)c21.C=S1(=O)CCc2nc(C(C)(C)C)ncc21.C=S1(=O)CCc2nc(C(C)(C)C)ncc21.C=S1(=O)CCc2ncnc(C(C)(C)C)c21.C=S1(=O)Cc2ccnc(C(C)(C)C)c2C1.C=S1(=O)Cc2cnc(C(C)(C)C)cc2C1.C=S1(=O)Cc2cnc(C(C)(C)C)nc2C1.C=S1(=O)Cc2ncnc(C(C)(C)C)c2C1
InChIInChI=1S/3C13H19NOS.2C12H18N2OS.5C12H17NOS.5C11H16N2OS.C9H15NOS2/c1-13(2,3)12-7-10-5-6-16(4,15)9-11(10)8-14-12;1-13(2,3)12-8-11-10(9-14-12)6-5-7-16(11,4)15;1-13(2,3)12-8-10-6-5-7-16(4,15)11(10)9-14-12;1-12(2,3)11-13-8-10-9(14-11)6-5-7-16(10,4)15;1-12(2,3)11-13-8-9-6-5-7-16(4,15)10(9)14-11;1-12(2,3)11-5-9-7-15(4,14)8-10(9)6-13-11;1-12(2,3)11-10-9(5-7-13-11)6-8-15(10,4)14;1-12(2,3)11-10-8-15(4,14)7-9(10)5-6-13-11;2*1-12(2,3)11-7-9-5-6-15(4,14)10(9)8-13-11;1-11(2,3)10-8-5-15(4,14)6-9(8)12-7-13-10;1-11(2,3)10-12-5-8-6-15(4,14)7-9(8)13-10;1-11(2,3)10-9-8(12-7-13-10)5-6-15(9,4)14;2*1-11(2,3)10-12-7-9-8(13-10)5-6-15(9,4)14;1-9(2,3)8-10-6-7(12-8)13(4,5)11/h7-8H,4-6,9H2,1-3H3;2*8-9H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;5-6H,4,7-8H2,1-3H3;5,7H,4,6,8H2,1-3H3;5-6H,4,7-8H2,1-3H3;2*7-8H,4-6H2,1-3H3;7H,4-6H2,1-3H3;5H,4,6-7H2,1-3H3;3*7H,4-6H2,1-3H3;6H,4H2,1-3,5H3
InChIKeyRQOQJBPSAXVQNN-UHFFFAOYSA-N
MW3644.52 g/mol
LogP30.16
Rot. Bonds1

About 4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(5-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;bis(2-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);2-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;6-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide;6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1-oxide;2-tert-butyl-5-methylidene-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide;2-tert-butyl-8-methylidene-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidine 8-oxide;(2-tert-butyl-1,3-thiazol-5-yl)-methyl-methylidene-oxo-λ6-sulfane

4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(5-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;bis(2-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);2-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;6-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide;6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1-oxide;2-tert-butyl-5-methylidene-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide;2-tert-butyl-8-methylidene-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidine 8-oxide;(2-tert-butyl-1,3-thiazol-5-yl)-methyl-methylidene-oxo-λ6-sulfane (PubChem CID 160700704) has the molecular formula C187H273N23O16S17 and a molecular weight of 3644.52 g/mol. Its IUPAC name is 4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(5-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;bis(2-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);2-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;6-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide;6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1-oxide;2-tert-butyl-5-methylidene-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide;2-tert-butyl-8-methylidene-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidine 8-oxide;(2-tert-butyl-1,3-thiazol-5-yl)-methyl-methylidene-oxo-λ6-sulfane.

Molecular Properties

Compound Name4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(5-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;bis(2-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);2-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;6-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide;6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1-oxide;2-tert-butyl-5-methylidene-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide;2-tert-butyl-8-methylidene-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidine 8-oxide;(2-tert-butyl-1,3-thiazol-5-yl)-methyl-methylidene-oxo-λ6-sulfane
PubChem CID160700704
Molecular FormulaC187H273N23O16S17
Molecular Weight3644.52 g/mol
Exact Mass3640.65
IUPAC Name4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(5-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;bis(2-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);2-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;6-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide;6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1-oxide;2-tert-butyl-5-methylidene-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide;2-tert-butyl-8-methylidene-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidine 8-oxide;(2-tert-butyl-1,3-thiazol-5-yl)-methyl-methylidene-oxo-λ6-sulfane
SMILESC=S(C)(=O)c1cnc(C(C)(C)C)s1.C=S1(=O)CCCc2cc(C(C)(C)C)ncc21.C=S1(=O)CCCc2cnc(C(C)(C)C)cc21.C=S1(=O)CCCc2cnc(C(C)(C)C)nc21.C=S1(=O)CCCc2nc(C(C)(C)C)ncc21.C=S1(=O)CCc2cc(C(C)(C)C)ncc21.C=S1(=O)CCc2cc(C(C)(C)C)ncc21.C=S1(=O)CCc2cc(C(C)(C)C)ncc2C1.C=S1(=O)CCc2ccnc(C(C)(C)C)c21.C=S1(=O)CCc2nc(C(C)(C)C)ncc21.C=S1(=O)CCc2nc(C(C)(C)C)ncc21.C=S1(=O)CCc2ncnc(C(C)(C)C)c21.C=S1(=O)Cc2ccnc(C(C)(C)C)c2C1.C=S1(=O)Cc2cnc(C(C)(C)C)cc2C1.C=S1(=O)Cc2cnc(C(C)(C)C)nc2C1.C=S1(=O)Cc2ncnc(C(C)(C)C)c2C1
InChIInChI=1S/3C13H19NOS.2C12H18N2OS.5C12H17NOS.5C11H16N2OS.C9H15NOS2/c1-13(2,3)12-7-10-5-6-16(4,15)9-11(10)8-14-12;1-13(2,3)12-8-11-10(9-14-12)6-5-7-16(11,4)15;1-13(2,3)12-8-10-6-5-7-16(4,15)11(10)9-14-12;1-12(2,3)11-13-8-10-9(14-11)6-5-7-16(10,4)15;1-12(2,3)11-13-8-9-6-5-7-16(4,15)10(9)14-11;1-12(2,3)11-5-9-7-15(4,14)8-10(9)6-13-11;1-12(2,3)11-10-9(5-7-13-11)6-8-15(10,4)14;1-12(2,3)11-10-8-15(4,14)7-9(10)5-6-13-11;2*1-12(2,3)11-7-9-5-6-15(4,14)10(9)8-13-11;1-11(2,3)10-8-5-15(4,14)6-9(8)12-7-13-10;1-11(2,3)10-12-5-8-6-15(4,14)7-9(8)13-10;1-11(2,3)10-9-8(12-7-13-10)5-6-15(9,4)14;2*1-11(2,3)10-12-7-9-8(13-10)5-6-15(9,4)14;1-9(2,3)8-10-6-7(12-8)13(4,5)11/h7-8H,4-6,9H2,1-3H3;2*8-9H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;5-6H,4,7-8H2,1-3H3;5,7H,4,6,8H2,1-3H3;5-6H,4,7-8H2,1-3H3;2*7-8H,4-6H2,1-3H3;7H,4-6H2,1-3H3;5H,4,6-7H2,1-3H3;3*7H,4-6H2,1-3H3;6H,4H2,1-3,5H3
InChIKeyRQOQJBPSAXVQNN-UHFFFAOYSA-N
XLogP30.16
TPSA569.59 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds1
Heavy Atoms243
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003644.52
LogP ≤ 530.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(5-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;bis(2-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);2-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;6-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide;6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1-oxide;2-tert-butyl-5-methylidene-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide;2-tert-butyl-8-methylidene-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidine 8-oxide;(2-tert-butyl-1,3-thiazol-5-yl)-methyl-methylidene-oxo-λ6-sulfane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(5-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;bis(2-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);2-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;6-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide;6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1-oxide;2-tert-butyl-5-methylidene-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide;2-tert-butyl-8-methylidene-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidine 8-oxide;(2-tert-butyl-1,3-thiazol-5-yl)-methyl-methylidene-oxo-λ6-sulfane?
The IUPAC name of 4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(5-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;bis(2-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);2-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;6-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide;6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1-oxide;2-tert-butyl-5-methylidene-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide;2-tert-butyl-8-methylidene-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidine 8-oxide;(2-tert-butyl-1,3-thiazol-5-yl)-methyl-methylidene-oxo-λ6-sulfane (CID 160700704) is 4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(5-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;bis(2-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);2-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;6-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide;6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1-oxide;2-tert-butyl-5-methylidene-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide;2-tert-butyl-8-methylidene-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidine 8-oxide;(2-tert-butyl-1,3-thiazol-5-yl)-methyl-methylidene-oxo-λ6-sulfane.
What is the SMILES notation for 4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(5-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;bis(2-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);2-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;6-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide;6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1-oxide;2-tert-butyl-5-methylidene-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide;2-tert-butyl-8-methylidene-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidine 8-oxide;(2-tert-butyl-1,3-thiazol-5-yl)-methyl-methylidene-oxo-λ6-sulfane?
The canonical SMILES for 4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(5-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;bis(2-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);2-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;6-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide;6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1-oxide;2-tert-butyl-5-methylidene-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide;2-tert-butyl-8-methylidene-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidine 8-oxide;(2-tert-butyl-1,3-thiazol-5-yl)-methyl-methylidene-oxo-λ6-sulfane is C=S(C)(=O)c1cnc(C(C)(C)C)s1.C=S1(=O)CCCc2cc(C(C)(C)C)ncc21.C=S1(=O)CCCc2cnc(C(C)(C)C)cc21.C=S1(=O)CCCc2cnc(C(C)(C)C)nc21.C=S1(=O)CCCc2nc(C(C)(C)C)ncc21.C=S1(=O)CCc2cc(C(C)(C)C)ncc21.C=S1(=O)CCc2cc(C(C)(C)C)ncc21.C=S1(=O)CCc2cc(C(C)(C)C)ncc2C1.C=S1(=O)CCc2ccnc(C(C)(C)C)c21.C=S1(=O)CCc2nc(C(C)(C)C)ncc21.C=S1(=O)CCc2nc(C(C)(C)C)ncc21.C=S1(=O)CCc2ncnc(C(C)(C)C)c21.C=S1(=O)Cc2ccnc(C(C)(C)C)c2C1.C=S1(=O)Cc2cnc(C(C)(C)C)cc2C1.C=S1(=O)Cc2cnc(C(C)(C)C)nc2C1.C=S1(=O)Cc2ncnc(C(C)(C)C)c2C1.
What is the InChIKey of 4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(5-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;bis(2-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);2-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;6-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide;6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1-oxide;2-tert-butyl-5-methylidene-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide;2-tert-butyl-8-methylidene-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidine 8-oxide;(2-tert-butyl-1,3-thiazol-5-yl)-methyl-methylidene-oxo-λ6-sulfane?
The InChIKey is RQOQJBPSAXVQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H19NOS.2C12H18N2OS.5C12H17NOS.5C11H16N2OS.C9H15NOS2/c1-13(2,3)12-7-10-5-6-16(4,15)9-11(10)8-14-12;1-13(2,3)12-8-11-10(9-14-12)6-5-7-16(11,4)15;1-13(2,3)12-8-10-6-5-7-16(4,15)11(10)9-14-12;1-12(2,3)11-13-8-10-9(14-11)6-5-7-16(10,4)15;1-12(2,3)11-13-8-9-6-5-7-16(4,15)10(9)14-11;1-12(2,3)11-5-9-7-15(4,14)8-10(9)6-13-11;1-12(2,3)11-10-9(5-7-13-11)6-8-15(10,4)14;1-12(2,3)11-10-8-15(4,14)7-9(10)5-6-13-11;2*1-12(2,3)11-7-9-5-6-15(4,14)10(9)8-13-11;1-11(2,3)10-8-5-15(4,14)6-9(8)12-7-13-10;1-11(2,3)10-12-5-8-6-15(4,14)7-9(8)13-10;1-11(2,3)10-9-8(12-7-13-10)5-6-15(9,4)14;2*1-11(2,3)10-12-7-9-8(13-10)5-6-15(9,4)14;1-9(2,3)8-10-6-7(12-8)13(4,5)11/h7-8H,4-6,9H2,1-3H3;2*8-9H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;5-6H,4,7-8H2,1-3H3;5,7H,4,6,8H2,1-3H3;5-6H,4,7-8H2,1-3H3;2*7-8H,4-6H2,1-3H3;7H,4-6H2,1-3H3;5H,4,6-7H2,1-3H3;3*7H,4-6H2,1-3H3;6H,4H2,1-3,5H3.
What are the key properties of 4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(5-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;bis(2-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);2-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;6-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide;6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1-oxide;2-tert-butyl-5-methylidene-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide;2-tert-butyl-8-methylidene-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidine 8-oxide;(2-tert-butyl-1,3-thiazol-5-yl)-methyl-methylidene-oxo-λ6-sulfane?
4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(5-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;bis(2-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);2-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;6-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide;6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1-oxide;2-tert-butyl-5-methylidene-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide;2-tert-butyl-8-methylidene-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidine 8-oxide;(2-tert-butyl-1,3-thiazol-5-yl)-methyl-methylidene-oxo-λ6-sulfane has a molecular weight of 3644.52 g/mol, XLogP of 30.16, 1 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(5-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;bis(2-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);2-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;6-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide;6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1-oxide;2-tert-butyl-5-methylidene-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide;2-tert-butyl-8-methylidene-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidine 8-oxide;(2-tert-butyl-1,3-thiazol-5-yl)-methyl-methylidene-oxo-λ6-sulfane is sourced from PubChem (CID 160700704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).