1-chloro-4-(2-methylphenyl)sulfanylbenzene

C13H11ClS — CID 11770414

IUPAC1-chloro-4-(2-methylphenyl)sulfanylbenzene
SMILESCc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClS/c1-10-4-2-3-5-13(10)15-12-8-6-11(14)7-9-12/h2-9H,1H3
InChIKeyWOOSAWDBZPDNDB-UHFFFAOYSA-N
MW234.75 g/mol
LogP4.80
Rot. Bonds2

About 1-chloro-4-(2-methylphenyl)sulfanylbenzene

1-chloro-4-(2-methylphenyl)sulfanylbenzene (PubChem CID 11770414) has the molecular formula C13H11ClS and a molecular weight of 234.75 g/mol. Its IUPAC name is 1-chloro-4-(2-methylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-chloro-4-(2-methylphenyl)sulfanylbenzene
PubChem CID11770414
Molecular FormulaC13H11ClS
Molecular Weight234.75 g/mol
Exact Mass234.03
IUPAC Name1-chloro-4-(2-methylphenyl)sulfanylbenzene
SMILESCc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClS/c1-10-4-2-3-5-13(10)15-12-8-6-11(14)7-9-12/h2-9H,1H3
InChIKeyWOOSAWDBZPDNDB-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

Chlorbenside
CID 7639
Fluorbenside
CID 9836
Bis(4-chlorophenyl) sulfide
CID 78854
4-[(4-Chlorophenyl)Sulfanyl]Benzonitrile
CID 10879393
2-Fluoro-6-(4-chlorophenylthio)benzonitrile
CID 2737296
Benzene, 1-methyl-2-(phenylthio)-
CID 139652
1-(Benzenesulfinylmethyl)-4-chlorobenzene
CID 228204
Benzene, 1-chloro-4-(phenylthio)-
CID 139435
4-Chlorobenzyl phenyl sulfide
CID 817805
1-Chloro-2-methyl-3-(methylthio)benzene
CID 14801176
1-chloro-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 66553587
2-Chlorothioxanthene
CID 244109

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-methylphenyl)sulfanylbenzene?
The IUPAC name of 1-chloro-4-(2-methylphenyl)sulfanylbenzene (CID 11770414) is 1-chloro-4-(2-methylphenyl)sulfanylbenzene.
What is the SMILES notation for 1-chloro-4-(2-methylphenyl)sulfanylbenzene?
The canonical SMILES for 1-chloro-4-(2-methylphenyl)sulfanylbenzene is Cc1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(2-methylphenyl)sulfanylbenzene?
The InChIKey is WOOSAWDBZPDNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClS/c1-10-4-2-3-5-13(10)15-12-8-6-11(14)7-9-12/h2-9H,1H3.
What are the key properties of 1-chloro-4-(2-methylphenyl)sulfanylbenzene?
1-chloro-4-(2-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-4-(2-methylphenyl)sulfanylbenzene is sourced from PubChem (CID 11770414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).