1-chloro-3-(4-methylphenyl)sulfanylbenzene

C13H11ClS — CID 91027886

IUPAC1-chloro-3-(4-methylphenyl)sulfanylbenzene
SMILESCc1ccc(Sc2cccc(Cl)c2)cc1
InChIInChI=1S/C13H11ClS/c1-10-5-7-12(8-6-10)15-13-4-2-3-11(14)9-13/h2-9H,1H3
InChIKeyGHTRMORRAKEKDN-UHFFFAOYSA-N
MW234.75 g/mol
LogP4.80
Rot. Bonds2

About 1-chloro-3-(4-methylphenyl)sulfanylbenzene

1-chloro-3-(4-methylphenyl)sulfanylbenzene (PubChem CID 91027886) has the molecular formula C13H11ClS and a molecular weight of 234.75 g/mol. Its IUPAC name is 1-chloro-3-(4-methylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-chloro-3-(4-methylphenyl)sulfanylbenzene
PubChem CID91027886
Molecular FormulaC13H11ClS
Molecular Weight234.75 g/mol
Exact Mass234.03
IUPAC Name1-chloro-3-(4-methylphenyl)sulfanylbenzene
SMILESCc1ccc(Sc2cccc(Cl)c2)cc1
InChIInChI=1S/C13H11ClS/c1-10-5-7-12(8-6-10)15-13-4-2-3-11(14)9-13/h2-9H,1H3
InChIKeyGHTRMORRAKEKDN-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
(1S)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanamine
CID 63371446
(1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol
CID 63835061
3-(4-methylphenyl)sulfanylphenol
CID 20780501
3-(4-methylphenyl)sulfanylbenzenethiol
CID 126723170
3-(3-chlorophenyl)sulfanyl-N-methylaniline
CID 117033156
4-(3-chlorophenyl)sulfanyl-2-methylbenzoic acid
CID 81294140
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
2-(3-chlorophenyl)sulfanyl-5-methylbenzonitrile
CID 107930974
[4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone
CID 70168814
3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-1-benzofuran
CID 123804668
1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene
CID 135192592

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-methylphenyl)sulfanylbenzene?
The IUPAC name of 1-chloro-3-(4-methylphenyl)sulfanylbenzene (CID 91027886) is 1-chloro-3-(4-methylphenyl)sulfanylbenzene.
What is the SMILES notation for 1-chloro-3-(4-methylphenyl)sulfanylbenzene?
The canonical SMILES for 1-chloro-3-(4-methylphenyl)sulfanylbenzene is Cc1ccc(Sc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-chloro-3-(4-methylphenyl)sulfanylbenzene?
The InChIKey is GHTRMORRAKEKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClS/c1-10-5-7-12(8-6-10)15-13-4-2-3-11(14)9-13/h2-9H,1H3.
What are the key properties of 1-chloro-3-(4-methylphenyl)sulfanylbenzene?
1-chloro-3-(4-methylphenyl)sulfanylbenzene has a molecular weight of 234.75 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-methylphenyl)sulfanylbenzene is sourced from PubChem (CID 91027886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).