(2-chlorophenyl)-(2-methylthiophen-3-yl)methanone

C12H9ClOS — CID 102830683

IUPAC(2-chlorophenyl)-(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)c1ccccc1Cl
InChIInChI=1S/C12H9ClOS/c1-8-9(6-7-15-8)12(14)10-4-2-3-5-11(10)13/h2-7H,1H3
InChIKeyAPJASVBJYNCIIV-UHFFFAOYSA-N
MW236.72 g/mol
LogP3.94
Rot. Bonds2

About (2-chlorophenyl)-(2-methylthiophen-3-yl)methanone

(2-chlorophenyl)-(2-methylthiophen-3-yl)methanone (PubChem CID 102830683) has the molecular formula C12H9ClOS and a molecular weight of 236.72 g/mol. Its IUPAC name is (2-chlorophenyl)-(2-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(2-methylthiophen-3-yl)methanone
PubChem CID102830683
Molecular FormulaC12H9ClOS
Molecular Weight236.72 g/mol
Exact Mass236.01
IUPAC Name(2-chlorophenyl)-(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)c1ccccc1Cl
InChIInChI=1S/C12H9ClOS/c1-8-9(6-7-15-8)12(14)10-4-2-3-5-11(10)13/h2-7H,1H3
InChIKeyAPJASVBJYNCIIV-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-chlorophenyl)-(2-methylthiophen-3-yl)methanone 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-chlorophenyl)-(2-methylthiophen-3-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(2-methylthiophen-3-yl)methanone (CID 102830683) is (2-chlorophenyl)-(2-methylthiophen-3-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(2-methylthiophen-3-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(2-methylthiophen-3-yl)methanone is Cc1sccc1C(=O)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(2-methylthiophen-3-yl)methanone?
The InChIKey is APJASVBJYNCIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClOS/c1-8-9(6-7-15-8)12(14)10-4-2-3-5-11(10)13/h2-7H,1H3.
What are the key properties of (2-chlorophenyl)-(2-methylthiophen-3-yl)methanone?
(2-chlorophenyl)-(2-methylthiophen-3-yl)methanone has a molecular weight of 236.72 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2-methylthiophen-3-yl)methanone is sourced from PubChem (CID 102830683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).