1-chloro-3-fluoro-5-methylsulfanylbenzene

C7H6ClFS — CID 55268823

IUPAC1-chloro-3-fluoro-5-methylsulfanylbenzene
SMILESCSc1cc(F)cc(Cl)c1
InChIInChI=1S/C7H6ClFS/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChIKeySKGMMAGHGPUATF-UHFFFAOYSA-N
MW176.64 g/mol
LogP3.20
Rot. Bonds1

About 1-chloro-3-fluoro-5-methylsulfanylbenzene

1-chloro-3-fluoro-5-methylsulfanylbenzene (PubChem CID 55268823) has the molecular formula C7H6ClFS and a molecular weight of 176.64 g/mol. Its IUPAC name is 1-chloro-3-fluoro-5-methylsulfanylbenzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-5-methylsulfanylbenzene
PubChem CID55268823
Molecular FormulaC7H6ClFS
Molecular Weight176.64 g/mol
Exact Mass175.99
IUPAC Name1-chloro-3-fluoro-5-methylsulfanylbenzene
SMILESCSc1cc(F)cc(Cl)c1
InChIInChI=1S/C7H6ClFS/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChIKeySKGMMAGHGPUATF-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 1-chloro-3-fluoro-5-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-chloro-3-fluoro-5-methylsulfanylbenzene?
The IUPAC name of 1-chloro-3-fluoro-5-methylsulfanylbenzene (CID 55268823) is 1-chloro-3-fluoro-5-methylsulfanylbenzene.
What is the SMILES notation for 1-chloro-3-fluoro-5-methylsulfanylbenzene?
The canonical SMILES for 1-chloro-3-fluoro-5-methylsulfanylbenzene is CSc1cc(F)cc(Cl)c1.
What is the InChIKey of 1-chloro-3-fluoro-5-methylsulfanylbenzene?
The InChIKey is SKGMMAGHGPUATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFS/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3.
What are the key properties of 1-chloro-3-fluoro-5-methylsulfanylbenzene?
1-chloro-3-fluoro-5-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 1-chloro-3-fluoro-5-methylsulfanylbenzene is sourced from PubChem (CID 55268823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).