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Search term: BSNQHVPRAPQLSW-BYPYZUCNSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R)-Tetrahydro-3-thiophenecarboxylic acid | C5H8O2S

(3R)-Tetrahydro-3-thiophenecarboxylic acid

  • Molecular FormulaC5H8O2S
  • Average mass132.181 Da
  • Monoisotopic mass132.024506 Da
  • ChemSpider ID28542132

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3R)-Tetrahydro-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
(3R)-Tetrahydro-3-thiophenecarboxylic acid [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, tetrahydro-, (3R)- [ACD/Index Name]
Acide (3R)-tétrahydro-3-thiophènecarboxylique [French] [ACD/IUPAC Name]
(R)-tetrahydrothiophene-3-carboxylic acid
18193-98-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 291.4±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 58.4±6.0 kJ/mol
Flash Point: 130.0±25.4 °C
Index of Refraction: 1.565
Molar Refractivity: 32.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.96
ACD/LogD (pH 7.4): -2.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 100.4±3.0 cm3

Click to predict properties on the Chemicalize site


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