2-chloro-1-fluoro-4-methylsulfanylbenzene

C7H6ClFS — CID 55220709

IUPAC2-chloro-1-fluoro-4-methylsulfanylbenzene
SMILESCSc1ccc(F)c(Cl)c1
InChIInChI=1S/C7H6ClFS/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKeyUDVYYVQAVNLEJY-UHFFFAOYSA-N
MW176.64 g/mol
LogP3.20
Rot. Bonds1

About 2-chloro-1-fluoro-4-methylsulfanylbenzene

2-chloro-1-fluoro-4-methylsulfanylbenzene (PubChem CID 55220709) has the molecular formula C7H6ClFS and a molecular weight of 176.64 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-methylsulfanylbenzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-methylsulfanylbenzene
PubChem CID55220709
Molecular FormulaC7H6ClFS
Molecular Weight176.64 g/mol
Exact Mass175.99
IUPAC Name2-chloro-1-fluoro-4-methylsulfanylbenzene
SMILESCSc1ccc(F)c(Cl)c1
InChIInChI=1S/C7H6ClFS/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKeyUDVYYVQAVNLEJY-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.64
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-chloro-1-fluoro-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 2-chloro-1-fluoro-4-methylsulfanylbenzene?
The IUPAC name of 2-chloro-1-fluoro-4-methylsulfanylbenzene (CID 55220709) is 2-chloro-1-fluoro-4-methylsulfanylbenzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-methylsulfanylbenzene?
The canonical SMILES for 2-chloro-1-fluoro-4-methylsulfanylbenzene is CSc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-1-fluoro-4-methylsulfanylbenzene?
The InChIKey is UDVYYVQAVNLEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFS/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3.
What are the key properties of 2-chloro-1-fluoro-4-methylsulfanylbenzene?
2-chloro-1-fluoro-4-methylsulfanylbenzene has a molecular weight of 176.64 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-methylsulfanylbenzene is sourced from PubChem (CID 55220709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).