3-phenylthiophene-2-carbonyl chloride

C11H7ClOS — CID 119087278

IUPAC3-phenylthiophene-2-carbonyl chloride
SMILESO=C(Cl)c1sccc1-c1ccccc1
InChIInChI=1S/C11H7ClOS/c12-11(13)10-9(6-7-14-10)8-4-2-1-3-5-8/h1-7H
InChIKeyMQHZFFURPKLFJT-UHFFFAOYSA-N
MW222.70 g/mol
LogP3.79
Rot. Bonds2

About 3-phenylthiophene-2-carbonyl chloride

3-phenylthiophene-2-carbonyl chloride (PubChem CID 119087278) has the molecular formula C11H7ClOS and a molecular weight of 222.70 g/mol. Its IUPAC name is 3-phenylthiophene-2-carbonyl chloride.

Molecular Properties

Compound Name3-phenylthiophene-2-carbonyl chloride
PubChem CID119087278
Molecular FormulaC11H7ClOS
Molecular Weight222.70 g/mol
Exact Mass221.99
IUPAC Name3-phenylthiophene-2-carbonyl chloride
SMILESO=C(Cl)c1sccc1-c1ccccc1
InChIInChI=1S/C11H7ClOS/c12-11(13)10-9(6-7-14-10)8-4-2-1-3-5-8/h1-7H
InChIKeyMQHZFFURPKLFJT-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-phenylthiophene-2-carbonyl chloride 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

N-[bis(3-phenylthiophen-2-yl)methylidene]hydroxylamine
CID 90473240
N-tert-butyl-3-phenylthiophene-2-carboxamide
CID 60629670
benzyl 3-phenylthiophene-2-carboxylate
CID 175107738
3-phenyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 61393683
N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide
CID 26719726
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide
CID 106180732
morpholin-4-yl-(3-phenylthiophen-2-yl)methanone
CID 18105345
(4-benzhydrylpiperazin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 2444171
N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide
CID 65110113
N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 18267936
(4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 78768210
N-(5-hydroxypentyl)-N-methyl-3-phenylthiophene-2-carboxamide
CID 107202461

Frequently Asked Questions

What is the IUPAC name of 3-phenylthiophene-2-carbonyl chloride?
The IUPAC name of 3-phenylthiophene-2-carbonyl chloride (CID 119087278) is 3-phenylthiophene-2-carbonyl chloride.
What is the SMILES notation for 3-phenylthiophene-2-carbonyl chloride?
The canonical SMILES for 3-phenylthiophene-2-carbonyl chloride is O=C(Cl)c1sccc1-c1ccccc1.
What is the InChIKey of 3-phenylthiophene-2-carbonyl chloride?
The InChIKey is MQHZFFURPKLFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClOS/c12-11(13)10-9(6-7-14-10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 3-phenylthiophene-2-carbonyl chloride?
3-phenylthiophene-2-carbonyl chloride has a molecular weight of 222.70 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylthiophene-2-carbonyl chloride is sourced from PubChem (CID 119087278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).