Cas no 91086-68-9 (2-THIOPHENECARBOXYLIC ACID, 5-ETHYL-, METHYL ESTER)

2-THIOPHENECARBOXYLIC ACID, 5-ETHYL-, METHYL ESTER structure
91086-68-9 structure
Product Name:2-THIOPHENECARBOXYLIC ACID, 5-ETHYL-, METHYL ESTER
CAS No:91086-68-9
MF:C8H10O2S
MW:170.228801250458
CID:3279140
PubChem ID:13356127
Update Time:2025-04-21

2-THIOPHENECARBOXYLIC ACID, 5-ETHYL-, METHYL ESTER Chemical and Physical Properties

Names and Identifiers

    • 2-THIOPHENECARBOXYLIC ACID, 5-ETHYL-, METHYL ESTER
    • Methyl 5-ethylthiophene-2-carboxylate
    • E89855
    • 91086-68-9
    • METHYL5-ETHYLTHIOPHENE-2-CARBOXYLATE
    • MFCD06203733
    • AKOS009015575
    • CS-0195889
    • methyl 5-ethyl-2-thiophenecarboxylate
    • SCHEMBL11984343
    • Inchi： 1S/C8H10O2S/c1-3-6-4-5-7(11-6)8(9)10-2/h4-5H,3H2,1-2H3
    • InChI Key： XBHFFZLMQIVPDP-UHFFFAOYSA-N
    • SMILES： S1C(C(=O)OC)=CC=C1CC

Computed Properties

  • Exact Mass: 170.04015073g/mol
  • Monoisotopic Mass: 170.04015073g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 147
  • 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: 2.6
  • Topological Polar Surface Area: 54.5?2

2-THIOPHENECARBOXYLIC ACID, 5-ETHYL-, METHYL ESTER Pricemore >>

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