5-Chloro-3-methylbenzo[b]thiophene

• CAS: 19404-18-3
• Catalog Number: ACM19404183
• Category: Thiophenes
• Molecular Weight: 182.67
• Molecular Formula: C9H7ClS
• Synonyms: 5-Chloro-3-methylthianaphthene; 5-chloro-3-methyl-1-benzothiophene
• IUPAC Name: 5-chloro-3-methyl-1-benzothiophene
• Canonical SMILES: CC1=CSC2=C1C=C(C=C2)Cl
• InChI: InChI=1S/C9H7ClS/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5H,1H3
• InChI Key: UWDQVEPXORTQFO-UHFFFAOYSA-N
• Boiling Point: 144 °C/14 mmHg
• Melting Point: 35 °C
• Flash Point: 163.1°C
• Density: 1.293 g/cm³ at 25 °C(lit.)
• Appearance: White to Yellow to Orange powder to lump
• Complexity: 149
• Covalently-Bonded Unit Count: 1
• EC Number: 606-305-0
• Exact Mass: 181.995699g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 11
• MDL Number: MFCD00052506
• Monoisotopic Mass: 181.995699g/mol
• NSC Number: 248678
• Rotatable Bond Count: 0
• XLogP3: 3.9