2,5-dichlorothiophene

C4H2Cl2S — CID 18501

IUPAC2,5-dichlorothiophene
SMILESClc1ccc(Cl)s1
InChIInChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H
InChIKeyFGYBDASKYMSNCX-UHFFFAOYSA-N
MW153.03 g/mol
LogP3.05
Rot. Bonds

About 2,5-dichlorothiophene

2,5-dichlorothiophene (PubChem CID 18501) has the molecular formula C4H2Cl2S and a molecular weight of 153.03 g/mol. Its IUPAC name is 2,5-dichlorothiophene.

Molecular Properties

Compound Name2,5-dichlorothiophene
PubChem CID18501
Molecular FormulaC4H2Cl2S
Molecular Weight153.03 g/mol
Exact Mass151.93
IUPAC Name2,5-dichlorothiophene
SMILESClc1ccc(Cl)s1
InChIInChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H
InChIKeyFGYBDASKYMSNCX-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.03
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,5-dichlorothiophene 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 2,5-dichlorothiophene?
The IUPAC name of 2,5-dichlorothiophene (CID 18501) is 2,5-dichlorothiophene.
What is the SMILES notation for 2,5-dichlorothiophene?
The canonical SMILES for 2,5-dichlorothiophene is Clc1ccc(Cl)s1.
What is the InChIKey of 2,5-dichlorothiophene?
The InChIKey is FGYBDASKYMSNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H.
What are the key properties of 2,5-dichlorothiophene?
2,5-dichlorothiophene has a molecular weight of 153.03 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichlorothiophene is sourced from PubChem (CID 18501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).