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

C167H254N34O16S16 — CID 159202568

IUPACbis(4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);bis(4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);bis(4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide);(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(6-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane
SMILESC=S1(=O)CCc2ccnc(C(C)(C)C)c21.C=S1(=O)CCc2ccnc(C(C)(C)C)c21.C=S1(=O)CCc2ncnc(C(C)(C)C)c21.C=S1(=O)CCc2ncnc(C(C)(C)C)c21.C=S1(=O)Cc2ccnc(C(C)(C)C)c2C1.C=S1(=O)Cc2ccnc(C(C)(C)C)c2C1.C=S1(=O)Cc2cnc(C(C)(C)C)cc2C1.C=S1(=O)Cc2ncnc(C(C)(C)C)c2C1.C=S1(=O)Cc2ncnc(C(C)(C)C)c2C1.[H]N=[S@@](C)(=O)c1ccnc(C(C)(C)C)n1.[H]N=[S@@](C)(=O)c1cnc(C(C)(C)C)nc1.[H]N=[S@@](C)(=O)c1cncnc1C(C)(C)C.[H]N=[S@](C)(=O)c1cc(C(C)(C)C)ncn1.[H]N=[S@](C)(=O)c1ccnc(C(C)(C)C)n1.[H]N=[S@](C)(=O)c1cnc(C(C)(C)C)nc1.[H]N=[S@](C)(=O)c1cncnc1C(C)(C)C
InChIInChI=1S/5C12H17NOS.4C11H16N2OS.7C9H15N3OS/c1-12(2,3)11-5-9-7-15(4,14)8-10(9)6-13-11;2*1-12(2,3)11-10-9(5-7-13-11)6-8-15(10,4)14;2*1-12(2,3)11-10-8-15(4,14)7-9(10)5-6-13-11;2*1-11(2,3)10-8-5-15(4,14)6-9(8)12-7-13-10;2*1-11(2,3)10-9-8(12-7-13-10)5-6-15(9,4)14;2*1-9(2,3)8-7(14(4,10)13)5-11-6-12-8;1-9(2,3)7-5-8(12-6-11-7)14(4,10)13;2*1-9(2,3)8-11-5-7(6-12-8)14(4,10)13;2*1-9(2,3)8-11-6-5-7(12-8)14(4,10)13/h5-6H,4,7-8H2,1-3H3;2*5,7H,4,6,8H2,1-3H3;2*5-6H,4,7-8H2,1-3H3;4*7H,4-6H2,1-3H3;7*5-6,10H,1-4H3/t;;;;;;;;;7*14-/m.........1011010/s1
InChIKeyKPMATSMQIMRTGV-KJVIFZNCSA-N
MW3507.16 g/mol
LogP28.83
Rot. Bonds7

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

bis(4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);bis(4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);bis(4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide);(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(6-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane (PubChem CID 159202568) has the molecular formula C167H254N34O16S16 and a molecular weight of 3507.16 g/mol. Its IUPAC name is bis(4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);bis(4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);bis(4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide);(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(6-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Namebis(4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);bis(4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);bis(4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide);(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(6-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane
PubChem CID159202568
Molecular FormulaC167H254N34O16S16
Molecular Weight3507.16 g/mol
Exact Mass3503.56
IUPAC Namebis(4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);bis(4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);bis(4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide);(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(6-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane
SMILESC=S1(=O)CCc2ccnc(C(C)(C)C)c21.C=S1(=O)CCc2ccnc(C(C)(C)C)c21.C=S1(=O)CCc2ncnc(C(C)(C)C)c21.C=S1(=O)CCc2ncnc(C(C)(C)C)c21.C=S1(=O)Cc2ccnc(C(C)(C)C)c2C1.C=S1(=O)Cc2ccnc(C(C)(C)C)c2C1.C=S1(=O)Cc2cnc(C(C)(C)C)cc2C1.C=S1(=O)Cc2ncnc(C(C)(C)C)c2C1.C=S1(=O)Cc2ncnc(C(C)(C)C)c2C1.[H]N=[S@@](C)(=O)c1ccnc(C(C)(C)C)n1.[H]N=[S@@](C)(=O)c1cnc(C(C)(C)C)nc1.[H]N=[S@@](C)(=O)c1cncnc1C(C)(C)C.[H]N=[S@](C)(=O)c1cc(C(C)(C)C)ncn1.[H]N=[S@](C)(=O)c1ccnc(C(C)(C)C)n1.[H]N=[S@](C)(=O)c1cnc(C(C)(C)C)nc1.[H]N=[S@](C)(=O)c1cncnc1C(C)(C)C
InChIInChI=1S/5C12H17NOS.4C11H16N2OS.7C9H15N3OS/c1-12(2,3)11-5-9-7-15(4,14)8-10(9)6-13-11;2*1-12(2,3)11-10-9(5-7-13-11)6-8-15(10,4)14;2*1-12(2,3)11-10-8-15(4,14)7-9(10)5-6-13-11;2*1-11(2,3)10-8-5-15(4,14)6-9(8)12-7-13-10;2*1-11(2,3)10-9-8(12-7-13-10)5-6-15(9,4)14;2*1-9(2,3)8-7(14(4,10)13)5-11-6-12-8;1-9(2,3)7-5-8(12-6-11-7)14(4,10)13;2*1-9(2,3)8-11-5-7(6-12-8)14(4,10)13;2*1-9(2,3)8-11-6-5-7(12-8)14(4,10)13/h5-6H,4,7-8H2,1-3H3;2*5,7H,4,6,8H2,1-3H3;2*5-6H,4,7-8H2,1-3H3;4*7H,4-6H2,1-3H3;7*5-6,10H,1-4H3/t;;;;;;;;;7*14-/m.........1011010/s1
InChIKeyKPMATSMQIMRTGV-KJVIFZNCSA-N
XLogP28.83
TPSA788.10 Ų
H-Bond Donors7
H-Bond Acceptors50
Rotatable Bonds7
Heavy Atoms233
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003507.16
LogP ≤ 528.83
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1050

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);bis(4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);bis(4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide);(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(6-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of bis(4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);bis(4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);bis(4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide);(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(6-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane (CID 159202568) is bis(4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);bis(4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);bis(4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide);(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(6-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for bis(4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);bis(4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);bis(4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide);(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(6-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for bis(4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);bis(4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);bis(4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide);(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(6-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane is C=S1(=O)CCc2ccnc(C(C)(C)C)c21.C=S1(=O)CCc2ccnc(C(C)(C)C)c21.C=S1(=O)CCc2ncnc(C(C)(C)C)c21.C=S1(=O)CCc2ncnc(C(C)(C)C)c21.C=S1(=O)Cc2ccnc(C(C)(C)C)c2C1.C=S1(=O)Cc2ccnc(C(C)(C)C)c2C1.C=S1(=O)Cc2cnc(C(C)(C)C)cc2C1.C=S1(=O)Cc2ncnc(C(C)(C)C)c2C1.C=S1(=O)Cc2ncnc(C(C)(C)C)c2C1.[H]N=[S@@](C)(=O)c1ccnc(C(C)(C)C)n1.[H]N=[S@@](C)(=O)c1cnc(C(C)(C)C)nc1.[H]N=[S@@](C)(=O)c1cncnc1C(C)(C)C.[H]N=[S@](C)(=O)c1cc(C(C)(C)C)ncn1.[H]N=[S@](C)(=O)c1ccnc(C(C)(C)C)n1.[H]N=[S@](C)(=O)c1cnc(C(C)(C)C)nc1.[H]N=[S@](C)(=O)c1cncnc1C(C)(C)C.
What is the InChIKey of bis(4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);bis(4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);bis(4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide);(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(6-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane?
The InChIKey is KPMATSMQIMRTGV-KJVIFZNCSA-N. The full InChI is InChI=1S/5C12H17NOS.4C11H16N2OS.7C9H15N3OS/c1-12(2,3)11-5-9-7-15(4,14)8-10(9)6-13-11;2*1-12(2,3)11-10-9(5-7-13-11)6-8-15(10,4)14;2*1-12(2,3)11-10-8-15(4,14)7-9(10)5-6-13-11;2*1-11(2,3)10-8-5-15(4,14)6-9(8)12-7-13-10;2*1-11(2,3)10-9-8(12-7-13-10)5-6-15(9,4)14;2*1-9(2,3)8-7(14(4,10)13)5-11-6-12-8;1-9(2,3)7-5-8(12-6-11-7)14(4,10)13;2*1-9(2,3)8-11-5-7(6-12-8)14(4,10)13;2*1-9(2,3)8-11-6-5-7(12-8)14(4,10)13/h5-6H,4,7-8H2,1-3H3;2*5,7H,4,6,8H2,1-3H3;2*5-6H,4,7-8H2,1-3H3;4*7H,4-6H2,1-3H3;7*5-6,10H,1-4H3/t;;;;;;;;;7*14-/m.........1011010/s1.
What are the key properties of bis(4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);bis(4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);bis(4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide);(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(6-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane?
bis(4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);bis(4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);bis(4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide);(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(6-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane has a molecular weight of 3507.16 g/mol, XLogP of 28.83, 7 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis(7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);bis(4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);bis(4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide);(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(4-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane;(6-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 159202568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).