Cas no 91505-28-1 (2-THIOPHENECARBOXYLIC ACID, 5-CHLORO-3-METHYL-)

2-THIOPHENECARBOXYLIC ACID, 5-CHLORO-3-METHYL- structure
91505-28-1 structure
Product Name:2-THIOPHENECARBOXYLIC ACID, 5-CHLORO-3-METHYL-
CAS No:91505-28-1
MF:C6H5ClO2S
MW:176.620699644089
CID:3279136
PubChem ID:13376220
Update Time:2025-04-21

2-THIOPHENECARBOXYLIC ACID, 5-CHLORO-3-METHYL- Chemical and Physical Properties

Names and Identifiers

    • 2-THIOPHENECARBOXYLIC ACID, 5-CHLORO-3-METHYL-
    • 5-Chloro-3-methylthiophene-2-carboxylic acid
    • 91505-28-1
    • 5-Chloro-3-methylthiophene-2-carboxylicacid
    • SCHEMBL3425861
    • NELGVVDDIWKCLC-UHFFFAOYSA-N
    • 5-Chloro-3-methyl-thiophene-2-carboxylic acid
    • methyl 5-chloro-thiophene-2-carboxylic acid
    • Inchi: 1S/C6H5ClO2S/c1-3-2-4(7)10-5(3)6(8)9/h2H,1H3,(H,8,9)
    • InChI Key: NELGVVDDIWKCLC-UHFFFAOYSA-N
    • SMILES: ClC1=CC(C)=C(C(=O)O)S1

Computed Properties

  • Exact Mass: 175.9698783g/mol
  • Monoisotopic Mass: 175.9698783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 151
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 65.5?2
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