2-(2,4-dichlorophenyl)sulfanylthiophene

C10H6Cl2S2 — CID 175549844

IUPAC2-(2,4-dichlorophenyl)sulfanylthiophene
SMILESClc1ccc(Sc2cccs2)c(Cl)c1
InChIInChI=1S/C10H6Cl2S2/c11-7-3-4-9(8(12)6-7)14-10-2-1-5-13-10/h1-6H
InChIKeyYCMHOJRJBWKAQY-UHFFFAOYSA-N
MW261.20 g/mol
LogP5.21
Rot. Bonds2

About 2-(2,4-dichlorophenyl)sulfanylthiophene

2-(2,4-dichlorophenyl)sulfanylthiophene (PubChem CID 175549844) has the molecular formula C10H6Cl2S2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)sulfanylthiophene.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)sulfanylthiophene
PubChem CID175549844
Molecular FormulaC10H6Cl2S2
Molecular Weight261.20 g/mol
Exact Mass259.93
IUPAC Name2-(2,4-dichlorophenyl)sulfanylthiophene
SMILESClc1ccc(Sc2cccs2)c(Cl)c1
InChIInChI=1S/C10H6Cl2S2/c11-7-3-4-9(8(12)6-7)14-10-2-1-5-13-10/h1-6H
InChIKeyYCMHOJRJBWKAQY-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.20
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dichlorophenyl)sulfanylthiophene 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-(2,4-dichlorophenyl)sulfanylthiophene?
The IUPAC name of 2-(2,4-dichlorophenyl)sulfanylthiophene (CID 175549844) is 2-(2,4-dichlorophenyl)sulfanylthiophene.
What is the SMILES notation for 2-(2,4-dichlorophenyl)sulfanylthiophene?
The canonical SMILES for 2-(2,4-dichlorophenyl)sulfanylthiophene is Clc1ccc(Sc2cccs2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)sulfanylthiophene?
The InChIKey is YCMHOJRJBWKAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2S2/c11-7-3-4-9(8(12)6-7)14-10-2-1-5-13-10/h1-6H.
What are the key properties of 2-(2,4-dichlorophenyl)sulfanylthiophene?
2-(2,4-dichlorophenyl)sulfanylthiophene has a molecular weight of 261.20 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)sulfanylthiophene is sourced from PubChem (CID 175549844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).