1-(5-chlorothiophen-3-yl)-2-methylsulfanylethanone

C7H7ClOS2 — CID 130678217

IUPAC1-(5-chlorothiophen-3-yl)-2-methylsulfanylethanone
SMILESCSCC(=O)c1csc(Cl)c1
InChIInChI=1S/C7H7ClOS2/c1-10-4-6(9)5-2-7(8)11-3-5/h2-3H,4H2,1H3
InChIKeyJHHVLSOYFNIAAR-UHFFFAOYSA-N
MW206.72 g/mol
LogP2.95
Rot. Bonds3

About 1-(5-chlorothiophen-3-yl)-2-methylsulfanylethanone

1-(5-chlorothiophen-3-yl)-2-methylsulfanylethanone (PubChem CID 130678217) has the molecular formula C7H7ClOS2 and a molecular weight of 206.72 g/mol. Its IUPAC name is 1-(5-chlorothiophen-3-yl)-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-3-yl)-2-methylsulfanylethanone
PubChem CID130678217
Molecular FormulaC7H7ClOS2
Molecular Weight206.72 g/mol
Exact Mass205.96
IUPAC Name1-(5-chlorothiophen-3-yl)-2-methylsulfanylethanone
SMILESCSCC(=O)c1csc(Cl)c1
InChIInChI=1S/C7H7ClOS2/c1-10-4-6(9)5-2-7(8)11-3-5/h2-3H,4H2,1H3
InChIKeyJHHVLSOYFNIAAR-UHFFFAOYSA-N
XLogP2.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-chlorothiophen-3-yl)-2-methylsulfanylethanone 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-(5-chlorothiophen-3-yl)-2-methylsulfanylethanone?
The IUPAC name of 1-(5-chlorothiophen-3-yl)-2-methylsulfanylethanone (CID 130678217) is 1-(5-chlorothiophen-3-yl)-2-methylsulfanylethanone.
What is the SMILES notation for 1-(5-chlorothiophen-3-yl)-2-methylsulfanylethanone?
The canonical SMILES for 1-(5-chlorothiophen-3-yl)-2-methylsulfanylethanone is CSCC(=O)c1csc(Cl)c1.
What is the InChIKey of 1-(5-chlorothiophen-3-yl)-2-methylsulfanylethanone?
The InChIKey is JHHVLSOYFNIAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClOS2/c1-10-4-6(9)5-2-7(8)11-3-5/h2-3H,4H2,1H3.
What are the key properties of 1-(5-chlorothiophen-3-yl)-2-methylsulfanylethanone?
1-(5-chlorothiophen-3-yl)-2-methylsulfanylethanone has a molecular weight of 206.72 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-3-yl)-2-methylsulfanylethanone is sourced from PubChem (CID 130678217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).