1,4-dichloro-2-methyl-3-methylsulfanylbenzene

C8H8Cl2S — CID 91881184

IUPAC1,4-dichloro-2-methyl-3-methylsulfanylbenzene
SMILESCSc1c(Cl)ccc(Cl)c1C
InChIInChI=1S/C8H8Cl2S/c1-5-6(9)3-4-7(10)8(5)11-2/h3-4H,1-2H3
InChIKeyFVGVNNNBGGUNEF-UHFFFAOYSA-N
MW207.12 g/mol
LogP4.02
Rot. Bonds1

About 1,4-dichloro-2-methyl-3-methylsulfanylbenzene

1,4-dichloro-2-methyl-3-methylsulfanylbenzene (PubChem CID 91881184) has the molecular formula C8H8Cl2S and a molecular weight of 207.12 g/mol. Its IUPAC name is 1,4-dichloro-2-methyl-3-methylsulfanylbenzene.

Molecular Properties

Compound Name1,4-dichloro-2-methyl-3-methylsulfanylbenzene
PubChem CID91881184
Molecular FormulaC8H8Cl2S
Molecular Weight207.12 g/mol
Exact Mass205.97
IUPAC Name1,4-dichloro-2-methyl-3-methylsulfanylbenzene
SMILESCSc1c(Cl)ccc(Cl)c1C
InChIInChI=1S/C8H8Cl2S/c1-5-6(9)3-4-7(10)8(5)11-2/h3-4H,1-2H3
InChIKeyFVGVNNNBGGUNEF-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.12
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,4-dichloro-2-methyl-3-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 1,4-dichloro-2-methyl-3-methylsulfanylbenzene?
The IUPAC name of 1,4-dichloro-2-methyl-3-methylsulfanylbenzene (CID 91881184) is 1,4-dichloro-2-methyl-3-methylsulfanylbenzene.
What is the SMILES notation for 1,4-dichloro-2-methyl-3-methylsulfanylbenzene?
The canonical SMILES for 1,4-dichloro-2-methyl-3-methylsulfanylbenzene is CSc1c(Cl)ccc(Cl)c1C.
What is the InChIKey of 1,4-dichloro-2-methyl-3-methylsulfanylbenzene?
The InChIKey is FVGVNNNBGGUNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2S/c1-5-6(9)3-4-7(10)8(5)11-2/h3-4H,1-2H3.
What are the key properties of 1,4-dichloro-2-methyl-3-methylsulfanylbenzene?
1,4-dichloro-2-methyl-3-methylsulfanylbenzene has a molecular weight of 207.12 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-methyl-3-methylsulfanylbenzene is sourced from PubChem (CID 91881184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).