5-phenylthiophene-2-carbonyl chloride

C11H7ClOS — CID 2776308

IUPAC5-phenylthiophene-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C11H7ClOS/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H
InChIKeyDAQWIBBCMYIUFA-UHFFFAOYSA-N
MW222.70 g/mol
LogP3.79
Rot. Bonds2

About 5-phenylthiophene-2-carbonyl chloride

5-phenylthiophene-2-carbonyl chloride (PubChem CID 2776308) has the molecular formula C11H7ClOS and a molecular weight of 222.70 g/mol. Its IUPAC name is 5-phenylthiophene-2-carbonyl chloride.

Molecular Properties

Compound Name5-phenylthiophene-2-carbonyl chloride
PubChem CID2776308
Molecular FormulaC11H7ClOS
Molecular Weight222.70 g/mol
Exact Mass221.99
IUPAC Name5-phenylthiophene-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C11H7ClOS/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H
InChIKeyDAQWIBBCMYIUFA-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenylthiophene-2-carbonyl chloride?
The IUPAC name of 5-phenylthiophene-2-carbonyl chloride (CID 2776308) is 5-phenylthiophene-2-carbonyl chloride.
What is the SMILES notation for 5-phenylthiophene-2-carbonyl chloride?
The canonical SMILES for 5-phenylthiophene-2-carbonyl chloride is O=C(Cl)c1ccc(-c2ccccc2)s1.
What is the InChIKey of 5-phenylthiophene-2-carbonyl chloride?
The InChIKey is DAQWIBBCMYIUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClOS/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 5-phenylthiophene-2-carbonyl chloride?
5-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 5-phenylthiophene-2-carbonyl chloride is sourced from PubChem (CID 2776308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).