1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one

C10H11ClO2S — CID 79566355

IUPAC1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one
SMILESCOCC(=O)CSc1ccccc1Cl
InChIInChI=1S/C10H11ClO2S/c1-13-6-8(12)7-14-10-5-3-2-4-9(10)11/h2-5H,6-7H2,1H3
InChIKeyDDWNVILXBMOKCR-UHFFFAOYSA-N
MW230.72 g/mol
LogP2.65
Rot. Bonds5

About 1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one

1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one (PubChem CID 79566355) has the molecular formula C10H11ClO2S and a molecular weight of 230.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one
PubChem CID79566355
Molecular FormulaC10H11ClO2S
Molecular Weight230.72 g/mol
Exact Mass230.02
IUPAC Name1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one
SMILESCOCC(=O)CSc1ccccc1Cl
InChIInChI=1S/C10H11ClO2S/c1-13-6-8(12)7-14-10-5-3-2-4-9(10)11/h2-5H,6-7H2,1H3
InChIKeyDDWNVILXBMOKCR-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-one
CID 103035352
1-(2-chlorophenyl)sulfanyl-4-methylpent-4-en-2-one
CID 79177144
1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-one
CID 66140142
1-(2-chlorophenyl)sulfanylheptan-2-one
CID 66139360
ethyl 5-(2-chlorophenyl)sulfanyl-4-oxopentanoate
CID 66323392
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 66140332
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanone
CID 43412223
1-(2-chlorophenyl)sulfanyl-6,6-dimethylhept-4-yn-2-one
CID 114190125
1-(2-chlorophenyl)sulfanyl-4-methylpent-3-en-2-one
CID 79190154
1-(2-chlorophenyl)sulfanyl-3-pyridin-4-ylpropan-2-one
CID 66141536
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone
CID 79700591

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one (CID 79566355) is 1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one is COCC(=O)CSc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one?
The InChIKey is DDWNVILXBMOKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2S/c1-13-6-8(12)7-14-10-5-3-2-4-9(10)11/h2-5H,6-7H2,1H3.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one?
1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one has a molecular weight of 230.72 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one is sourced from PubChem (CID 79566355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).