Cas no 212757-10-3 (Cyclohexanecarboxylicacid, 2-(2-thienylcarbonyl)-, (1R,2S)-rel-)

Cyclohexanecarboxylicacid, 2-(2-thienylcarbonyl)-, (1R,2S)-rel- structure
212757-10-3 structure
Product Name:Cyclohexanecarboxylicacid, 2-(2-thienylcarbonyl)-, (1R,2S)-rel-
CAS No:212757-10-3
MF:C12H14O3S
MW:238.302762508392
CID:278710
PubChem ID:1268172
Update Time:2025-09-23

Cyclohexanecarboxylicacid, 2-(2-thienylcarbonyl)-, (1R,2S)-rel- Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanecarboxylicacid, 2-(2-thienylcarbonyl)-, (1R,2S)-rel-
    • SCHEMBL3866711
    • rac-(1R,2S)-2-(thiophene-2-carbonyl)cyclohexane-1-carboxylic acid
    • Rac-(1r,2s)-2-(thiophene-2-carbonyl)cyclohexane-1-carboxylic acid, cis
    • 212757-10-3
    • CS-0260588
    • CIS-2-(2-THIOPHENECARBONYL)-1-CYCLOHEXANECARBOXYLIC ACID
    • AKOS024282680
    • EN300-7545082
    • (2S,1R)-2-(2-thienylcarbonyl)cyclohexanecarboxylic acid
    • Inchi: 1S/C12H14O3S/c13-11(10-6-3-7-16-10)8-4-1-2-5-9(8)12(14)15/h3,6-9H,1-2,4-5H2,(H,14,15)/t8-,9+/m0/s1
    • InChI Key: OHEBPHKWGCMUNK-DTWKUNHWSA-N
    • SMILES: S1C=CC=C1C([C@H]1CCCC[C@H]1C(=O)O)=O

Computed Properties

  • Exact Mass: 237.05859
  • Monoisotopic Mass: 238.066
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 290
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 82.6A^2
  • XLogP3: 2.7

Experimental Properties

  • Density: 1.2650 (rough estimate)
  • Melting Point: 170-175°C
  • Boiling Point: 350.9°C (rough estimate)
  • Flash Point: 217.2±25.9 °C
  • Refractive Index: 1.5050 (estimate)
  • PSA: 57.2
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

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