2-chloro-1-thiophen-2-ylethanone

C6H5ClOS — CID 2757925

IUPAC2-chloro-1-thiophen-2-ylethanone
SMILESO=C(CCl)c1cccs1
InChIInChI=1S/C6H5ClOS/c7-4-5(8)6-2-1-3-9-6/h1-3H,4H2
InChIKeyKHOWLHQEABZKNA-UHFFFAOYSA-N
MW160.62 g/mol
LogP2.17
Rot. Bonds2

About 2-chloro-1-thiophen-2-ylethanone

2-chloro-1-thiophen-2-ylethanone (PubChem CID 2757925) has the molecular formula C6H5ClOS and a molecular weight of 160.62 g/mol. Its IUPAC name is 2-chloro-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-chloro-1-thiophen-2-ylethanone
PubChem CID2757925
Molecular FormulaC6H5ClOS
Molecular Weight160.62 g/mol
Exact Mass159.97
IUPAC Name2-chloro-1-thiophen-2-ylethanone
SMILESO=C(CCl)c1cccs1
InChIInChI=1S/C6H5ClOS/c7-4-5(8)6-2-1-3-9-6/h1-3H,4H2
InChIKeyKHOWLHQEABZKNA-UHFFFAOYSA-N
XLogP2.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.62
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Acetylthiophene
CID 6920
2-Propionylthiophene
CID 26179
2-Thiophenecarbonyl chloride
CID 78928
2-Thiopheneacetyl chloride
CID 162362
2-Butanoylthiophene
CID 79248
2-Acetyl-5-chlorothiophene
CID 80572
2-Pentanoylthiophene
CID 574100
1-(5-Bromothiophen-2-yl)-2-chloroethanone
CID 2757188
1-(4-Bromo-2-thienyl)-2-chloroethanone
CID 6539166
2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one
CID 678545
2-Chloro-1-(3-methyl-2-thienyl)-ethanone
CID 6539177
2-Chloro-1-(4-methylthiophen-2-yl)ethan-1-one
CID 6539178

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-thiophen-2-ylethanone?
The IUPAC name of 2-chloro-1-thiophen-2-ylethanone (CID 2757925) is 2-chloro-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-chloro-1-thiophen-2-ylethanone?
The canonical SMILES for 2-chloro-1-thiophen-2-ylethanone is O=C(CCl)c1cccs1.
What is the InChIKey of 2-chloro-1-thiophen-2-ylethanone?
The InChIKey is KHOWLHQEABZKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClOS/c7-4-5(8)6-2-1-3-9-6/h1-3H,4H2.
What are the key properties of 2-chloro-1-thiophen-2-ylethanone?
2-chloro-1-thiophen-2-ylethanone has a molecular weight of 160.62 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-thiophen-2-ylethanone is sourced from PubChem (CID 2757925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).