5-phenylthiophene-2-carbonyl chloride

• ChemBase ID: 80570
• Molecular Formular: C11H7ClOS
• Molecular Mass: 222.69068
• Monoisotopic Mass: 221.99061352
• SMILES: s1c(ccc1c1ccccc1)C(=O)Cl
• Canonical SMILES: ClC(=O)c1ccc(s1)c1ccccc1
• InChI: InChI=1S/C11H7ClOS/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H
• InChIKey: DAQWIBBCMYIUFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenylthiophene-2-carbonyl chloride
• IUPAC Traditional name: 5-phenylthiophene-2-carbonyl chloride
• Synonyms: 5-phenyl-2-thiophenecarbonyl chloride; 5-Phenylthiophene-2-carbonyl chloride

Database IDs

• CAS Number: 17361-89-6
• MDL Number: MFCD02681996
• PubChem SID: 162067690
• PubChem CID: 2776308

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.720971
• LogD (pH = 7.4): 3.720971
• Log P: 3.720971
• Molar Refractivity: 58.9829 cm^3
• Polarizability: 23.693005 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95%