1-(2-methylsulfanylphenyl)ethanone

C9H10OS — CID 10888285

IUPAC1-(2-methylsulfanylphenyl)ethanone
SMILESCSc1ccccc1C(C)=O
InChIInChI=1S/C9H10OS/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H,1-2H3
InChIKeyBWAPAQBFRRLPCG-UHFFFAOYSA-N
MW166.24 g/mol
LogP2.61
Rot. Bonds2

About 1-(2-methylsulfanylphenyl)ethanone

1-(2-methylsulfanylphenyl)ethanone (PubChem CID 10888285) has the molecular formula C9H10OS and a molecular weight of 166.24 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)ethanone
PubChem CID10888285
Molecular FormulaC9H10OS
Molecular Weight166.24 g/mol
Exact Mass166.05
IUPAC Name1-(2-methylsulfanylphenyl)ethanone
SMILESCSc1ccccc1C(C)=O
InChIInChI=1S/C9H10OS/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H,1-2H3
InChIKeyBWAPAQBFRRLPCG-UHFFFAOYSA-N
XLogP2.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylsulfanylphenyl)ethanone 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-(2-methylsulfanylphenyl)ethanone?
The IUPAC name of 1-(2-methylsulfanylphenyl)ethanone (CID 10888285) is 1-(2-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)ethanone?
The canonical SMILES for 1-(2-methylsulfanylphenyl)ethanone is CSc1ccccc1C(C)=O.
What is the InChIKey of 1-(2-methylsulfanylphenyl)ethanone?
The InChIKey is BWAPAQBFRRLPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H,1-2H3.
What are the key properties of 1-(2-methylsulfanylphenyl)ethanone?
1-(2-methylsulfanylphenyl)ethanone has a molecular weight of 166.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 10888285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).