ChemSpider 2D Image | (3R,5R,7aS)-5-(Sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid | C7H11NO2S3

(3R,5R,7aS)-5-(Sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid

  • Molecular FormulaC7H11NO2S3
  • Average mass237.363 Da
  • Monoisotopic mass236.995193 Da
  • ChemSpider ID35035115

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,5R,7aS)-5-(Sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazol-3-carbonsäure [German] [ACD/IUPAC Name]
(3R,5R,7aS)-5-(Sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid [ACD/IUPAC Name]
5H-Thiazolo[4,3-b]thiazole-3-carboxylic acid, tetrahydro-5-(mercaptomethyl)-, (3R,5R,7aS)- [ACD/Index Name]
Acide (3R,5R,7aS)-5-(sulfanylméthyl)tétrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylique [French] [ACD/IUPAC Name]
3C7

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

Density: 1.6±0.1 g/cm3
Boiling Point: 472.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.6±6.0 kJ/mol
Flash Point: 239.5±28.7 °C
Index of Refraction: 1.710
Molar Refractivity: 59.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.77
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 76.2±5.0 dyne/cm
Molar Volume: 152.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement