1,2-dichloro-4-methylsulfanylbenzene

C7H6Cl2S — CID 2758227

IUPAC1,2-dichloro-4-methylsulfanylbenzene
SMILESCSc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H6Cl2S/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKeyLOGKWMUUIKKPJB-UHFFFAOYSA-N
MW193.10 g/mol
LogP3.72
Rot. Bonds1

About 1,2-dichloro-4-methylsulfanylbenzene

1,2-dichloro-4-methylsulfanylbenzene (PubChem CID 2758227) has the molecular formula C7H6Cl2S and a molecular weight of 193.10 g/mol. Its IUPAC name is 1,2-dichloro-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1,2-dichloro-4-methylsulfanylbenzene
PubChem CID2758227
Molecular FormulaC7H6Cl2S
Molecular Weight193.10 g/mol
Exact Mass191.96
IUPAC Name1,2-dichloro-4-methylsulfanylbenzene
SMILESCSc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H6Cl2S/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKeyLOGKWMUUIKKPJB-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.10
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-dichloro-4-methylsulfanylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-methylsulfanylbenzene?
The IUPAC name of 1,2-dichloro-4-methylsulfanylbenzene (CID 2758227) is 1,2-dichloro-4-methylsulfanylbenzene.
What is the SMILES notation for 1,2-dichloro-4-methylsulfanylbenzene?
The canonical SMILES for 1,2-dichloro-4-methylsulfanylbenzene is CSc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-methylsulfanylbenzene?
The InChIKey is LOGKWMUUIKKPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2S/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3.
What are the key properties of 1,2-dichloro-4-methylsulfanylbenzene?
1,2-dichloro-4-methylsulfanylbenzene has a molecular weight of 193.10 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-methylsulfanylbenzene is sourced from PubChem (CID 2758227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).