3,4-dimethylthiophene-2-thiol

C6H8S2 — CID 22572180

IUPAC3,4-dimethylthiophene-2-thiol
SMILESCc1csc(S)c1C
InChIInChI=1S/C6H8S2/c1-4-3-8-6(7)5(4)2/h3,7H,1-2H3
InChIKeyQHTDBIYIHXBEQY-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.65
Rot. Bonds

About 3,4-dimethylthiophene-2-thiol

3,4-dimethylthiophene-2-thiol (PubChem CID 22572180) has the molecular formula C6H8S2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 3,4-dimethylthiophene-2-thiol.

Molecular Properties

Compound Name3,4-dimethylthiophene-2-thiol
PubChem CID22572180
Molecular FormulaC6H8S2
Molecular Weight144.26 g/mol
Exact Mass144.01
IUPAC Name3,4-dimethylthiophene-2-thiol
SMILESCc1csc(S)c1C
InChIInChI=1S/C6H8S2/c1-4-3-8-6(7)5(4)2/h3,7H,1-2H3
InChIKeyQHTDBIYIHXBEQY-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3,4-dimethylthiophene-2-thiol 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 3,4-dimethylthiophene-2-thiol?
The IUPAC name of 3,4-dimethylthiophene-2-thiol (CID 22572180) is 3,4-dimethylthiophene-2-thiol.
What is the SMILES notation for 3,4-dimethylthiophene-2-thiol?
The canonical SMILES for 3,4-dimethylthiophene-2-thiol is Cc1csc(S)c1C.
What is the InChIKey of 3,4-dimethylthiophene-2-thiol?
The InChIKey is QHTDBIYIHXBEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S2/c1-4-3-8-6(7)5(4)2/h3,7H,1-2H3.
What are the key properties of 3,4-dimethylthiophene-2-thiol?
3,4-dimethylthiophene-2-thiol has a molecular weight of 144.26 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylthiophene-2-thiol is sourced from PubChem (CID 22572180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).