2-(3,4-dichlorophenyl)-3-methylthiophene

C11H8Cl2S — CID 18715818

IUPAC2-(3,4-dichlorophenyl)-3-methylthiophene
SMILESCc1ccsc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H8Cl2S/c1-7-4-5-14-11(7)8-2-3-9(12)10(13)6-8/h2-6H,1H3
InChIKeyYIPWUKWHHGFCOQ-UHFFFAOYSA-N
MW243.16 g/mol
LogP5.03
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-3-methylthiophene

2-(3,4-dichlorophenyl)-3-methylthiophene (PubChem CID 18715818) has the molecular formula C11H8Cl2S and a molecular weight of 243.16 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-3-methylthiophene.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-3-methylthiophene
PubChem CID18715818
Molecular FormulaC11H8Cl2S
Molecular Weight243.16 g/mol
Exact Mass241.97
IUPAC Name2-(3,4-dichlorophenyl)-3-methylthiophene
SMILESCc1ccsc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H8Cl2S/c1-7-4-5-14-11(7)8-2-3-9(12)10(13)6-8/h2-6H,1H3
InChIKeyYIPWUKWHHGFCOQ-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.16
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3,4-dichlorophenyl)-3-methylthiophene 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-(3,4-dichlorophenyl)-3-methylthiophene?
The IUPAC name of 2-(3,4-dichlorophenyl)-3-methylthiophene (CID 18715818) is 2-(3,4-dichlorophenyl)-3-methylthiophene.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-3-methylthiophene?
The canonical SMILES for 2-(3,4-dichlorophenyl)-3-methylthiophene is Cc1ccsc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-3-methylthiophene?
The InChIKey is YIPWUKWHHGFCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2S/c1-7-4-5-14-11(7)8-2-3-9(12)10(13)6-8/h2-6H,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-3-methylthiophene?
2-(3,4-dichlorophenyl)-3-methylthiophene has a molecular weight of 243.16 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-3-methylthiophene is sourced from PubChem (CID 18715818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).