ChemSpider 2D Image | (4R)-1,3-Thiazinane-4-carboxylic acid | C5H9NO2S

(4R)-1,3-Thiazinane-4-carboxylic acid

  • Molecular FormulaC5H9NO2S
  • Average mass147.195 Da
  • Monoisotopic mass147.035400 Da
  • ChemSpider ID24191330

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-1,3-Thiazinan-4-carbonsäure [German] [ACD/IUPAC Name]
(4R)-1,3-Thiazinane-4-carboxylic acid [ACD/IUPAC Name]
2H-1,3-Thiazine-4-carboxylic acid, tetrahydro-, (4R)- [ACD/Index Name]
Acide (4R)-1,3-thiazinane-4-carboxylique [French] [ACD/IUPAC Name]
(R)-1,3-thiazinane-4-carboxylic acid
147331-82-6 [RN]
262-097-8 [EINECS]
2H-1,3-Thiazine-4-carboxylic acid, tetrahydro-, (R)- (9CI)
2H-1,3-Thiazine-4-carboxylicacid,tetrahydro-,(R)-(9CI)
60175-95-3 [RN]
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 352.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 65.6±6.0 kJ/mol
Flash Point: 166.9±27.9 °C
Index of Refraction: 1.544
Molar Refractivity: 36.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -2.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 114.2±3.0 cm3

Click to predict properties on the Chemicalize site


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