1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone

C12H9ClOS2 — CID 43413346

IUPAC1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C12H9ClOS2/c13-12-7-6-11(16-12)10(14)8-15-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyZRQCZPXQOYWHNQ-UHFFFAOYSA-N
MW268.79 g/mol
LogP4.38
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone

1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone (PubChem CID 43413346) has the molecular formula C12H9ClOS2 and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone
PubChem CID43413346
Molecular FormulaC12H9ClOS2
Molecular Weight268.79 g/mol
Exact Mass267.98
IUPAC Name1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C12H9ClOS2/c13-12-7-6-11(16-12)10(14)8-15-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyZRQCZPXQOYWHNQ-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone 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

2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone
CID 43231185
2-phenylsulfanyl-1-thiophen-2-ylethanone
CID 11042682
1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone
CID 43414112
2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 2624336
2-anilino-1-(5-chlorothiophen-2-yl)ethanone
CID 82119570
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048
2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone
CID 43222109
1-(5-chlorothiophen-2-yl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone
CID 6492513
1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone
CID 62030962
methyl 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanylacetate
CID 43414169
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone
CID 38968189
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 71989458

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone (CID 43413346) is 1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone is O=C(CSc1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone?
The InChIKey is ZRQCZPXQOYWHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClOS2/c13-12-7-6-11(16-12)10(14)8-15-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone?
1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone has a molecular weight of 268.79 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone is sourced from PubChem (CID 43413346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).