3-phenyl-1-benzothiophene-2-carbonyl chloride

C15H9ClOS — CID 24977492

IUPAC3-phenyl-1-benzothiophene-2-carbonyl chloride
SMILESO=C(Cl)c1sc2ccccc2c1-c1ccccc1
InChIInChI=1S/C15H9ClOS/c16-15(17)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)18-14/h1-9H
InChIKeyIMTTVFBCQLVYCO-UHFFFAOYSA-N
MW272.76 g/mol
LogP4.95
Rot. Bonds2

About 3-phenyl-1-benzothiophene-2-carbonyl chloride

3-phenyl-1-benzothiophene-2-carbonyl chloride (PubChem CID 24977492) has the molecular formula C15H9ClOS and a molecular weight of 272.76 g/mol. Its IUPAC name is 3-phenyl-1-benzothiophene-2-carbonyl chloride.

Molecular Properties

Compound Name3-phenyl-1-benzothiophene-2-carbonyl chloride
PubChem CID24977492
Molecular FormulaC15H9ClOS
Molecular Weight272.76 g/mol
Exact Mass272.01
IUPAC Name3-phenyl-1-benzothiophene-2-carbonyl chloride
SMILESO=C(Cl)c1sc2ccccc2c1-c1ccccc1
InChIInChI=1S/C15H9ClOS/c16-15(17)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)18-14/h1-9H
InChIKeyIMTTVFBCQLVYCO-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 54.95
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 3-phenyl-1-benzothiophene-2-carbonyl chloride?
The IUPAC name of 3-phenyl-1-benzothiophene-2-carbonyl chloride (CID 24977492) is 3-phenyl-1-benzothiophene-2-carbonyl chloride.
What is the SMILES notation for 3-phenyl-1-benzothiophene-2-carbonyl chloride?
The canonical SMILES for 3-phenyl-1-benzothiophene-2-carbonyl chloride is O=C(Cl)c1sc2ccccc2c1-c1ccccc1.
What is the InChIKey of 3-phenyl-1-benzothiophene-2-carbonyl chloride?
The InChIKey is IMTTVFBCQLVYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClOS/c16-15(17)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)18-14/h1-9H.
What are the key properties of 3-phenyl-1-benzothiophene-2-carbonyl chloride?
3-phenyl-1-benzothiophene-2-carbonyl chloride has a molecular weight of 272.76 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-benzothiophene-2-carbonyl chloride is sourced from PubChem (CID 24977492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).