1-chloro-3-methylsulfanyl-2-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;4-methyl-2-methylsulfanyl-1-propan-2-ylbenzene;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene

C146H214Cl5F4N5O11S14 — CID 159418315

IUPAC1-chloro-3-methylsulfanyl-2-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;4-methyl-2-methylsulfanyl-1-propan-2-ylbenzene;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESC.C.C.C.C.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)c1ncc(S(C)=O)cc1Cl.CSc1cc(C)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
InChIInChI=1S/C11H13F3OS.C11H16OS.C11H16S.C10H12Cl2OS.C10H13ClOS.C10H13ClS.C10H13FOS.3C10H15NOS.C10H14OS.C10H14S.C9H12ClNOS.C9H13NOS.5CH4/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;1-8(2)10-6-5-9(3)7-11(10)12-4;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)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)9-6-11-10(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;1-7(2)9-5-4-8(6-10-9)12(3)11;;;;;/h4-7H,1-3H3;5-8H,1-4H3;5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;3*5-7H,1-4H3;4-8H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;5*1H4
InChIKeyLPLFCYIKKQKBIV-UHFFFAOYSA-N
MW2917.54 g/mol
LogP44.74
Rot. Bonds28

About 1-chloro-3-methylsulfanyl-2-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;4-methyl-2-methylsulfanyl-1-propan-2-ylbenzene;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene

1-chloro-3-methylsulfanyl-2-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;4-methyl-2-methylsulfanyl-1-propan-2-ylbenzene;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene (PubChem CID 159418315) has the molecular formula C146H214Cl5F4N5O11S14 and a molecular weight of 2917.54 g/mol. Its IUPAC name is 1-chloro-3-methylsulfanyl-2-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;4-methyl-2-methylsulfanyl-1-propan-2-ylbenzene;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-methylsulfanyl-2-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;4-methyl-2-methylsulfanyl-1-propan-2-ylbenzene;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene
PubChem CID159418315
Molecular FormulaC146H214Cl5F4N5O11S14
Molecular Weight2917.54 g/mol
Exact Mass2912.08
IUPAC Name1-chloro-3-methylsulfanyl-2-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;4-methyl-2-methylsulfanyl-1-propan-2-ylbenzene;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESC.C.C.C.C.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)c1ncc(S(C)=O)cc1Cl.CSc1cc(C)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
InChIInChI=1S/C11H13F3OS.C11H16OS.C11H16S.C10H12Cl2OS.C10H13ClOS.C10H13ClS.C10H13FOS.3C10H15NOS.C10H14OS.C10H14S.C9H12ClNOS.C9H13NOS.5CH4/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;1-8(2)10-6-5-9(3)7-11(10)12-4;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)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)9-6-11-10(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;1-7(2)9-5-4-8(6-10-9)12(3)11;;;;;/h4-7H,1-3H3;5-8H,1-4H3;5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;3*5-7H,1-4H3;4-8H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;5*1H4
InChIKeyLPLFCYIKKQKBIV-UHFFFAOYSA-N
XLogP44.74
TPSA252.22 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002917.54
LogP ≤ 544.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-chloro-3-methylsulfanyl-2-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;4-methyl-2-methylsulfanyl-1-propan-2-ylbenzene;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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)-lambda4-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
1-Chloro-3-methylsulfonyl-2-propan-2-ylbenzene;2-chloro-4-methylsulfonyl-1-propan-2-ylbenzene;3-chloro-5-methylsulfonyl-2-propan-2-ylpyridine;1,3-dichloro-5-methylsulfonyl-2-propan-2-ylbenzene;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;methyl-methylidene-(5-methyl-4-propan-2-ylpyrimidin-2-yl)-oxo-lambda6-sulfane;2-methyl-4-methylsulfonyl-1-propan-2-ylbenzene;4-methyl-2-methylsulfonyl-1-propan-2-ylbenzene;2-methyl-6-methylsulfonyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfonyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfonyl-5-propan-2-ylpyridine;4-methyl-2-methylsulfonyl-5-propan-2-ylpyrimidine;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;5-methylsulfonyl-2-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyrimidine;4-methylsulfonyl-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 159485351
2-(Benzenesulfonyl)-3-methylpyridine;2-(4-chlorophenyl)sulfonyl-3-methylpyridine;(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-lambda6-sulfane;4-fluoro-1-methyl-2-(trifluoromethyl)benzene;2-(4-fluorophenyl)sulfonyl-3-methylpyridine;methyl-methylidene-(4-methylphenyl)-oxo-lambda6-sulfane;methyl-methylidene-[4-methyl-3-(trifluoromethyl)phenyl]-oxo-lambda6-sulfane;5-methyl-2-methylsulfonylpyridine;5-methyl-2-(trifluoromethyl)pyridine
CID 163660222
2-(Benzenesulfonyl)-3-methylpyridine;2-(4-chlorophenyl)sulfonyl-3-methylpyridine;2-(1,1-difluoroethyl)-5-methylpyridine;1,4-dimethyl-2-(trifluoromethyl)benzene;(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-lambda6-sulfane;2-(4-fluorophenyl)sulfonyl-3-methylpyridine;methyl-methylidene-(4-methylphenyl)-oxo-lambda6-sulfane;methyl-methylidene-[4-methyl-3-(trifluoromethyl)phenyl]-oxo-lambda6-sulfane;5-methyl-2-methylsulfonylpyridine
CID 164065316
1,4-Difluoro-2,5-dimethylbenzene;2,3-dimethyl-5-methylsulfonylpyridine;(3,4-dimethylphenyl)-methyl-methylidene-oxo-lambda6-sulfane;bis(2-fluoro-1,4-dimethylbenzene);(2-fluoro-4-methylphenyl)-methyl-methylidene-oxo-lambda6-sulfane;(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-lambda6-sulfane;methane;methyl-methylidene-(4-methylphenyl)-oxo-lambda6-sulfane;methyl-methylidene-(5-methyl-2-pyridinyl)-oxo-lambda6-sulfane;2-methyl-5-methylsulfonylpyridine;3-methylpyridine;1,4-xylene
CID 161333439
1-Chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;1-chloro-2-methyl-4-methylsulfonylbenzene;1,3-dichloro-2-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;2,3-dimethylpyridine;bis(1-fluoro-2-methylbenzene);1-fluoro-4-methylbenzene;1-methyl-3-methylsulfonylbenzene;1-methyl-4-methylsulfonylbenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;1,2-xylene
CID 161567680
1-Chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;1-chloro-2-methyl-4-methylsulfonylbenzene;1,3-dichloro-2-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;1-methyl-3-methylsulfonylbenzene;1-methyl-4-methylsulfonylbenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;1,2-xylene
CID 161812321

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methylsulfanyl-2-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;4-methyl-2-methylsulfanyl-1-propan-2-ylbenzene;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-3-methylsulfanyl-2-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;4-methyl-2-methylsulfanyl-1-propan-2-ylbenzene;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene (CID 159418315) is 1-chloro-3-methylsulfanyl-2-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;4-methyl-2-methylsulfanyl-1-propan-2-ylbenzene;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-3-methylsulfanyl-2-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;4-methyl-2-methylsulfanyl-1-propan-2-ylbenzene;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-3-methylsulfanyl-2-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;4-methyl-2-methylsulfanyl-1-propan-2-ylbenzene;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene is C.C.C.C.C.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)c1ncc(S(C)=O)cc1Cl.CSc1cc(C)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.
What is the InChIKey of 1-chloro-3-methylsulfanyl-2-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;4-methyl-2-methylsulfanyl-1-propan-2-ylbenzene;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene?
The InChIKey is LPLFCYIKKQKBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3OS.C11H16OS.C11H16S.C10H12Cl2OS.C10H13ClOS.C10H13ClS.C10H13FOS.3C10H15NOS.C10H14OS.C10H14S.C9H12ClNOS.C9H13NOS.5CH4/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;1-8(2)10-6-5-9(3)7-11(10)12-4;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)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)9-6-11-10(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;1-7(2)9-5-4-8(6-10-9)12(3)11;;;;;/h4-7H,1-3H3;5-8H,1-4H3;5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;3*5-7H,1-4H3;4-8H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;5*1H4.
What are the key properties of 1-chloro-3-methylsulfanyl-2-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;4-methyl-2-methylsulfanyl-1-propan-2-ylbenzene;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene?
1-chloro-3-methylsulfanyl-2-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;4-methyl-2-methylsulfanyl-1-propan-2-ylbenzene;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene has a molecular weight of 2917.54 g/mol, XLogP of 44.74, 28 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methylsulfanyl-2-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;4-methyl-2-methylsulfanyl-1-propan-2-ylbenzene;2-methyl-4-methylsulfinyl-1-propan-2-ylbenzene;2-methyl-6-methylsulfinyl-3-propan-2-ylpyridine;3-methyl-5-methylsulfinyl-2-propan-2-ylpyridine;4-methyl-2-methylsulfinyl-5-propan-2-ylpyridine;1-methylsulfanyl-2-propan-2-ylbenzene;1-methylsulfinyl-4-propan-2-ylbenzene;5-methylsulfinyl-2-propan-2-ylpyridine;4-methylsulfinyl-1-propan-2-yl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 159418315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).