1-chloro-3-methylsulfanyl-2-propan-2-ylbenzene;4-chloro-2-methylsulfanyl-1-propan-2-ylbenzene;2-chloro-4-methylsulfinyl-1-propan-2-ylbenzene;3-chloro-5-methylsulfinyl-2-propan-2-ylpyridine;1,3-dichloro-5-methylsulfinyl-2-propan-2-ylbenzene;2-fluoro-4-methylsulfinyl-1-propan-2-ylbenzene;methane;methyl-methylidene-(5-methyl-4-propan-2-ylpyrimidin-2-yl)-λ4-sulfane;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;1-methyl-4-methylsulfinyl-2-propan-2-ylimidazole;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyrimidine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;2-methylsulfinyl-5-propan-2-ylpyrimidine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene

C176H251Cl6F4N13O14S18 — CID 159197212

IUPAC1-chloro-3-methylsulfanyl-2-propan-2-ylbenzene;4-chloro-2-methylsulfanyl-1-propan-2-ylbenzene;2-chloro-4-methylsulfinyl-1-propan-2-ylbenzene;3-chloro-5-methylsulfinyl-2-propan-2-ylpyridine;1,3-dichloro-5-methylsulfinyl-2-propan-2-ylbenzene;2-fluoro-4-methylsulfinyl-1-propan-2-ylbenzene;methane;methyl-methylidene-(5-methyl-4-propan-2-ylpyrimidin-2-yl)-λ4-sulfane;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;1-methyl-4-methylsulfinyl-2-propan-2-ylimidazole;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyrimidine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;2-methylsulfinyl-5-propan-2-ylpyrimidine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESC.C=S(C)c1ncc(C)c(C(C)C)n1.CC(C)c1c(Cl)cc(S(C)=O)cc1Cl.CC(C)c1ccc(S(C)=O)cc1.CC(C)c1ccc(S(C)=O)cc1C(F)(F)F.CC(C)c1ccc(S(C)=O)cc1Cl.CC(C)c1ccc(S(C)=O)cc1F.CC(C)c1ccc(S(C)=O)cn1.CC(C)c1cnc(S(C)=O)nc1.CC(C)c1nc(S(C)=O)cn1C.CC(C)c1ncc(S(C)=O)cc1Cl.CSc1cc(Cl)ccc1C(C)C.CSc1cccc(Cl)c1C(C)C.CSc1ccccc1C(C)C.Cc1cc(S(C)=O)ccc1C(C)C.Cc1cc(S(C)=O)cnc1C(C)C.Cc1cc(S(C)=O)ncc1C(C)C.Cc1nc(S(C)=O)ccc1C(C)C.Cc1nc(S(C)=O)ncc1C(C)C
InChIInChI=1S/C11H13F3OS.C11H16OS.C10H12Cl2OS.C10H13ClOS.2C10H13ClS.C10H13FOS.C10H16N2S.3C10H15NOS.C10H14OS.C10H14S.C9H12ClNOS.C9H14N2OS.C9H13NOS.C8H14N2OS.C8H12N2OS.CH4/c1-7(2)9-5-4-8(16(3)15)6-10(9)11(12,13)14;1-8(2)11-6-5-10(13(4)12)7-9(11)3;1-6(2)10-8(11)4-7(14(3)13)5-9(10)12;1-7(2)9-5-4-8(13(3)12)6-10(9)11;1-7(2)9-5-4-8(11)6-10(9)12-3;1-7(2)10-8(11)5-4-6-9(10)12-3;1-7(2)9-5-4-8(13(3)12)6-10(9)11;1-7(2)9-8(3)6-11-10(12-9)13(4)5;1-7(2)9-6-11-10(13(4)12)5-8(9)3;1-7(2)10-8(3)5-9(6-11-10)13(4)12;1-7(2)9-5-6-10(13(4)12)11-8(9)3;1-8(2)9-4-6-10(7-5-9)12(3)11;1-8(2)9-6-4-5-7-10(9)11-3;1-6(2)9-8(10)4-7(5-11-9)13(3)12;1-6(2)8-5-10-9(13(4)12)11-7(8)3;1-7(2)9-5-4-8(6-10-9)12(3)11;1-6(2)8-9-7(12(4)11)5-10(8)3;1-6(2)7-4-9-8(10-5-7)12(3)11;/h4-7H,1-3H3;5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;4-7H,1-3H3;6-7H,4H2,1-3,5H3;3*5-7H,1-4H3;4-8H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;4-6H,1-3H3;1H4
InChIKeyKOUVWFARKUNHDZ-UHFFFAOYSA-N
MW3638.94 g/mol
LogP49.40
Rot. Bonds36

About 1-chloro-3-methylsulfanyl-2-propan-2-ylbenzene;4-chloro-2-methylsulfanyl-1-propan-2-ylbenzene;2-chloro-4-methylsulfinyl-1-propan-2-ylbenzene;3-chloro-5-methylsulfinyl-2-propan-2-ylpyridine;1,3-dichloro-5-methylsulfinyl-2-propan-2-ylbenzene;2-fluoro-4-methylsulfinyl-1-propan-2-ylbenzene;methane;methyl-methylidene-(5-methyl-4-propan-2-ylpyrimidin-2-yl)-λ4-sulfane;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;1-methyl-4-methylsulfinyl-2-propan-2-ylimidazole;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyrimidine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;2-methylsulfinyl-5-propan-2-ylpyrimidine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene

1-chloro-3-methylsulfanyl-2-propan-2-ylbenzene;4-chloro-2-methylsulfanyl-1-propan-2-ylbenzene;2-chloro-4-methylsulfinyl-1-propan-2-ylbenzene;3-chloro-5-methylsulfinyl-2-propan-2-ylpyridine;1,3-dichloro-5-methylsulfinyl-2-propan-2-ylbenzene;2-fluoro-4-methylsulfinyl-1-propan-2-ylbenzene;methane;methyl-methylidene-(5-methyl-4-propan-2-ylpyrimidin-2-yl)-λ4-sulfane;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;1-methyl-4-methylsulfinyl-2-propan-2-ylimidazole;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyrimidine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;2-methylsulfinyl-5-propan-2-ylpyrimidine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene (PubChem CID 159197212) has the molecular formula C176H251Cl6F4N13O14S18 and a molecular weight of 3638.94 g/mol. Its IUPAC name is 1-chloro-3-methylsulfanyl-2-propan-2-ylbenzene;4-chloro-2-methylsulfanyl-1-propan-2-ylbenzene;2-chloro-4-methylsulfinyl-1-propan-2-ylbenzene;3-chloro-5-methylsulfinyl-2-propan-2-ylpyridine;1,3-dichloro-5-methylsulfinyl-2-propan-2-ylbenzene;2-fluoro-4-methylsulfinyl-1-propan-2-ylbenzene;methane;methyl-methylidene-(5-methyl-4-propan-2-ylpyrimidin-2-yl)-λ4-sulfane;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;1-methyl-4-methylsulfinyl-2-propan-2-ylimidazole;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyrimidine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;2-methylsulfinyl-5-propan-2-ylpyrimidine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-methylsulfanyl-2-propan-2-ylbenzene;4-chloro-2-methylsulfanyl-1-propan-2-ylbenzene;2-chloro-4-methylsulfinyl-1-propan-2-ylbenzene;3-chloro-5-methylsulfinyl-2-propan-2-ylpyridine;1,3-dichloro-5-methylsulfinyl-2-propan-2-ylbenzene;2-fluoro-4-methylsulfinyl-1-propan-2-ylbenzene;methane;methyl-methylidene-(5-methyl-4-propan-2-ylpyrimidin-2-yl)-λ4-sulfane;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;1-methyl-4-methylsulfinyl-2-propan-2-ylimidazole;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyrimidine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;2-methylsulfinyl-5-propan-2-ylpyrimidine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene
PubChem CID159197212
Molecular FormulaC176H251Cl6F4N13O14S18
Molecular Weight3638.94 g/mol
Exact Mass3632.24
IUPAC Name1-chloro-3-methylsulfanyl-2-propan-2-ylbenzene;4-chloro-2-methylsulfanyl-1-propan-2-ylbenzene;2-chloro-4-methylsulfinyl-1-propan-2-ylbenzene;3-chloro-5-methylsulfinyl-2-propan-2-ylpyridine;1,3-dichloro-5-methylsulfinyl-2-propan-2-ylbenzene;2-fluoro-4-methylsulfinyl-1-propan-2-ylbenzene;methane;methyl-methylidene-(5-methyl-4-propan-2-ylpyrimidin-2-yl)-λ4-sulfane;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;1-methyl-4-methylsulfinyl-2-propan-2-ylimidazole;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyrimidine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;2-methylsulfinyl-5-propan-2-ylpyrimidine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESC.C=S(C)c1ncc(C)c(C(C)C)n1.CC(C)c1c(Cl)cc(S(C)=O)cc1Cl.CC(C)c1ccc(S(C)=O)cc1.CC(C)c1ccc(S(C)=O)cc1C(F)(F)F.CC(C)c1ccc(S(C)=O)cc1Cl.CC(C)c1ccc(S(C)=O)cc1F.CC(C)c1ccc(S(C)=O)cn1.CC(C)c1cnc(S(C)=O)nc1.CC(C)c1nc(S(C)=O)cn1C.CC(C)c1ncc(S(C)=O)cc1Cl.CSc1cc(Cl)ccc1C(C)C.CSc1cccc(Cl)c1C(C)C.CSc1ccccc1C(C)C.Cc1cc(S(C)=O)ccc1C(C)C.Cc1cc(S(C)=O)cnc1C(C)C.Cc1cc(S(C)=O)ncc1C(C)C.Cc1nc(S(C)=O)ccc1C(C)C.Cc1nc(S(C)=O)ncc1C(C)C
InChIInChI=1S/C11H13F3OS.C11H16OS.C10H12Cl2OS.C10H13ClOS.2C10H13ClS.C10H13FOS.C10H16N2S.3C10H15NOS.C10H14OS.C10H14S.C9H12ClNOS.C9H14N2OS.C9H13NOS.C8H14N2OS.C8H12N2OS.CH4/c1-7(2)9-5-4-8(16(3)15)6-10(9)11(12,13)14;1-8(2)11-6-5-10(13(4)12)7-9(11)3;1-6(2)10-8(11)4-7(14(3)13)5-9(10)12;1-7(2)9-5-4-8(13(3)12)6-10(9)11;1-7(2)9-5-4-8(11)6-10(9)12-3;1-7(2)10-8(11)5-4-6-9(10)12-3;1-7(2)9-5-4-8(13(3)12)6-10(9)11;1-7(2)9-8(3)6-11-10(12-9)13(4)5;1-7(2)9-6-11-10(13(4)12)5-8(9)3;1-7(2)10-8(3)5-9(6-11-10)13(4)12;1-7(2)9-5-6-10(13(4)12)11-8(9)3;1-8(2)9-4-6-10(7-5-9)12(3)11;1-8(2)9-6-4-5-7-10(9)11-3;1-6(2)9-8(10)4-7(5-11-9)13(3)12;1-6(2)8-5-10-9(13(4)12)11-7(8)3;1-7(2)9-5-4-8(6-10-9)12(3)11;1-6(2)8-9-7(12(4)11)5-10(8)3;1-6(2)7-4-9-8(10-5-7)12(3)11;/h4-7H,1-3H3;5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;4-7H,1-3H3;6-7H,4H2,1-3,5H3;3*5-7H,1-4H3;4-8H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;4-6H,1-3H3;1H4
InChIKeyKOUVWFARKUNHDZ-UHFFFAOYSA-N
XLogP49.40
TPSA398.59 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds36
Heavy Atoms231
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003638.94
LogP ≤ 549.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 1-chloro-3-methylsulfanyl-2-propan-2-ylbenzene;4-chloro-2-methylsulfanyl-1-propan-2-ylbenzene;2-chloro-4-methylsulfinyl-1-propan-2-ylbenzene;3-chloro-5-methylsulfinyl-2-propan-2-ylpyridine;1,3-dichloro-5-methylsulfinyl-2-propan-2-ylbenzene;2-fluoro-4-methylsulfinyl-1-propan-2-ylbenzene;methane;methyl-methylidene-(5-methyl-4-propan-2-ylpyrimidin-2-yl)-λ4-sulfane;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;1-methyl-4-methylsulfinyl-2-propan-2-ylimidazole;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyrimidine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;2-methylsulfinyl-5-propan-2-ylpyrimidine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methylsulfanyl-2-propan-2-ylbenzene;4-chloro-2-methylsulfanyl-1-propan-2-ylbenzene;2-chloro-4-methylsulfinyl-1-propan-2-ylbenzene;3-chloro-5-methylsulfinyl-2-propan-2-ylpyridine;1,3-dichloro-5-methylsulfinyl-2-propan-2-ylbenzene;2-fluoro-4-methylsulfinyl-1-propan-2-ylbenzene;methane;methyl-methylidene-(5-methyl-4-propan-2-ylpyrimidin-2-yl)-λ4-sulfane;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;1-methyl-4-methylsulfinyl-2-propan-2-ylimidazole;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyrimidine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;2-methylsulfinyl-5-propan-2-ylpyrimidine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-3-methylsulfanyl-2-propan-2-ylbenzene;4-chloro-2-methylsulfanyl-1-propan-2-ylbenzene;2-chloro-4-methylsulfinyl-1-propan-2-ylbenzene;3-chloro-5-methylsulfinyl-2-propan-2-ylpyridine;1,3-dichloro-5-methylsulfinyl-2-propan-2-ylbenzene;2-fluoro-4-methylsulfinyl-1-propan-2-ylbenzene;methane;methyl-methylidene-(5-methyl-4-propan-2-ylpyrimidin-2-yl)-λ4-sulfane;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;1-methyl-4-methylsulfinyl-2-propan-2-ylimidazole;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyrimidine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;2-methylsulfinyl-5-propan-2-ylpyrimidine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene (CID 159197212) is 1-chloro-3-methylsulfanyl-2-propan-2-ylbenzene;4-chloro-2-methylsulfanyl-1-propan-2-ylbenzene;2-chloro-4-methylsulfinyl-1-propan-2-ylbenzene;3-chloro-5-methylsulfinyl-2-propan-2-ylpyridine;1,3-dichloro-5-methylsulfinyl-2-propan-2-ylbenzene;2-fluoro-4-methylsulfinyl-1-propan-2-ylbenzene;methane;methyl-methylidene-(5-methyl-4-propan-2-ylpyrimidin-2-yl)-λ4-sulfane;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;1-methyl-4-methylsulfinyl-2-propan-2-ylimidazole;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyrimidine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;2-methylsulfinyl-5-propan-2-ylpyrimidine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-3-methylsulfanyl-2-propan-2-ylbenzene;4-chloro-2-methylsulfanyl-1-propan-2-ylbenzene;2-chloro-4-methylsulfinyl-1-propan-2-ylbenzene;3-chloro-5-methylsulfinyl-2-propan-2-ylpyridine;1,3-dichloro-5-methylsulfinyl-2-propan-2-ylbenzene;2-fluoro-4-methylsulfinyl-1-propan-2-ylbenzene;methane;methyl-methylidene-(5-methyl-4-propan-2-ylpyrimidin-2-yl)-λ4-sulfane;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;1-methyl-4-methylsulfinyl-2-propan-2-ylimidazole;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyrimidine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;2-methylsulfinyl-5-propan-2-ylpyrimidine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-3-methylsulfanyl-2-propan-2-ylbenzene;4-chloro-2-methylsulfanyl-1-propan-2-ylbenzene;2-chloro-4-methylsulfinyl-1-propan-2-ylbenzene;3-chloro-5-methylsulfinyl-2-propan-2-ylpyridine;1,3-dichloro-5-methylsulfinyl-2-propan-2-ylbenzene;2-fluoro-4-methylsulfinyl-1-propan-2-ylbenzene;methane;methyl-methylidene-(5-methyl-4-propan-2-ylpyrimidin-2-yl)-λ4-sulfane;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;1-methyl-4-methylsulfinyl-2-propan-2-ylimidazole;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyrimidine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;2-methylsulfinyl-5-propan-2-ylpyrimidine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene is C.C=S(C)c1ncc(C)c(C(C)C)n1.CC(C)c1c(Cl)cc(S(C)=O)cc1Cl.CC(C)c1ccc(S(C)=O)cc1.CC(C)c1ccc(S(C)=O)cc1C(F)(F)F.CC(C)c1ccc(S(C)=O)cc1Cl.CC(C)c1ccc(S(C)=O)cc1F.CC(C)c1ccc(S(C)=O)cn1.CC(C)c1cnc(S(C)=O)nc1.CC(C)c1nc(S(C)=O)cn1C.CC(C)c1ncc(S(C)=O)cc1Cl.CSc1cc(Cl)ccc1C(C)C.CSc1cccc(Cl)c1C(C)C.CSc1ccccc1C(C)C.Cc1cc(S(C)=O)ccc1C(C)C.Cc1cc(S(C)=O)cnc1C(C)C.Cc1cc(S(C)=O)ncc1C(C)C.Cc1nc(S(C)=O)ccc1C(C)C.Cc1nc(S(C)=O)ncc1C(C)C.
What is the InChIKey of 1-chloro-3-methylsulfanyl-2-propan-2-ylbenzene;4-chloro-2-methylsulfanyl-1-propan-2-ylbenzene;2-chloro-4-methylsulfinyl-1-propan-2-ylbenzene;3-chloro-5-methylsulfinyl-2-propan-2-ylpyridine;1,3-dichloro-5-methylsulfinyl-2-propan-2-ylbenzene;2-fluoro-4-methylsulfinyl-1-propan-2-ylbenzene;methane;methyl-methylidene-(5-methyl-4-propan-2-ylpyrimidin-2-yl)-λ4-sulfane;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;1-methyl-4-methylsulfinyl-2-propan-2-ylimidazole;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyrimidine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;2-methylsulfinyl-5-propan-2-ylpyrimidine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene?
The InChIKey is KOUVWFARKUNHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3OS.C11H16OS.C10H12Cl2OS.C10H13ClOS.2C10H13ClS.C10H13FOS.C10H16N2S.3C10H15NOS.C10H14OS.C10H14S.C9H12ClNOS.C9H14N2OS.C9H13NOS.C8H14N2OS.C8H12N2OS.CH4/c1-7(2)9-5-4-8(16(3)15)6-10(9)11(12,13)14;1-8(2)11-6-5-10(13(4)12)7-9(11)3;1-6(2)10-8(11)4-7(14(3)13)5-9(10)12;1-7(2)9-5-4-8(13(3)12)6-10(9)11;1-7(2)9-5-4-8(11)6-10(9)12-3;1-7(2)10-8(11)5-4-6-9(10)12-3;1-7(2)9-5-4-8(13(3)12)6-10(9)11;1-7(2)9-8(3)6-11-10(12-9)13(4)5;1-7(2)9-6-11-10(13(4)12)5-8(9)3;1-7(2)10-8(3)5-9(6-11-10)13(4)12;1-7(2)9-5-6-10(13(4)12)11-8(9)3;1-8(2)9-4-6-10(7-5-9)12(3)11;1-8(2)9-6-4-5-7-10(9)11-3;1-6(2)9-8(10)4-7(5-11-9)13(3)12;1-6(2)8-5-10-9(13(4)12)11-7(8)3;1-7(2)9-5-4-8(6-10-9)12(3)11;1-6(2)8-9-7(12(4)11)5-10(8)3;1-6(2)7-4-9-8(10-5-7)12(3)11;/h4-7H,1-3H3;5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;4-7H,1-3H3;6-7H,4H2,1-3,5H3;3*5-7H,1-4H3;4-8H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;4-6H,1-3H3;1H4.
What are the key properties of 1-chloro-3-methylsulfanyl-2-propan-2-ylbenzene;4-chloro-2-methylsulfanyl-1-propan-2-ylbenzene;2-chloro-4-methylsulfinyl-1-propan-2-ylbenzene;3-chloro-5-methylsulfinyl-2-propan-2-ylpyridine;1,3-dichloro-5-methylsulfinyl-2-propan-2-ylbenzene;2-fluoro-4-methylsulfinyl-1-propan-2-ylbenzene;methane;methyl-methylidene-(5-methyl-4-propan-2-ylpyrimidin-2-yl)-λ4-sulfane;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;1-methyl-4-methylsulfinyl-2-propan-2-ylimidazole;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyrimidine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;2-methylsulfinyl-5-propan-2-ylpyrimidine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene?
1-chloro-3-methylsulfanyl-2-propan-2-ylbenzene;4-chloro-2-methylsulfanyl-1-propan-2-ylbenzene;2-chloro-4-methylsulfinyl-1-propan-2-ylbenzene;3-chloro-5-methylsulfinyl-2-propan-2-ylpyridine;1,3-dichloro-5-methylsulfinyl-2-propan-2-ylbenzene;2-fluoro-4-methylsulfinyl-1-propan-2-ylbenzene;methane;methyl-methylidene-(5-methyl-4-propan-2-ylpyrimidin-2-yl)-λ4-sulfane;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;1-methyl-4-methylsulfinyl-2-propan-2-ylimidazole;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyrimidine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;2-methylsulfinyl-5-propan-2-ylpyrimidine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene has a molecular weight of 3638.94 g/mol, XLogP of 49.40, 36 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methylsulfanyl-2-propan-2-ylbenzene;4-chloro-2-methylsulfanyl-1-propan-2-ylbenzene;2-chloro-4-methylsulfinyl-1-propan-2-ylbenzene;3-chloro-5-methylsulfinyl-2-propan-2-ylpyridine;1,3-dichloro-5-methylsulfinyl-2-propan-2-ylbenzene;2-fluoro-4-methylsulfinyl-1-propan-2-ylbenzene;methane;methyl-methylidene-(5-methyl-4-propan-2-ylpyrimidin-2-yl)-λ4-sulfane;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;1-methyl-4-methylsulfinyl-2-propan-2-ylimidazole;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyrimidine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;2-methylsulfinyl-5-propan-2-ylpyrimidine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 159197212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).