ChemSpider 2D Image | 3-(Hydroxymethyl)-1,2-thiazole-4-carboxylic acid | C5H5NO3S

3-(Hydroxymethyl)-1,2-thiazole-4-carboxylic acid

  • Molecular FormulaC5H5NO3S
  • Average mass159.163 Da
  • Monoisotopic mass158.999008 Da
  • ChemSpider ID24190426

More details:

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

3-(Hydroxymethyl)-1,2-thiazol-4-carbonsäure [German] [ACD/IUPAC Name]
3-(Hydroxymethyl)-1,2-thiazole-4-carboxylic acid [ACD/IUPAC Name]
4-Isothiazolecarboxylic acid, 3-(hydroxymethyl)- [ACD/Index Name]
Acide 3-(hydroxyméthyl)-1,2-thiazole-4-carboxylique [French] [ACD/IUPAC Name]
15901-72-1 [RN]
3-(hydroxymethyl)isothiazole-4-carboxylic acid
4-ISOTHIAZOLECARBOXYLIC ACID 3-(HYDROXYMETHYL)-
4-Isothiazolecarboxylic acid, 3-(hydroxymethyl)- (8CI)
4-isothiazolecarboxylic acid,3-(hydroxymethyl)-
MFCD18820410

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

Density: 1.6±0.1 g/cm3
Boiling Point: 256.6±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 52.2±3.0 kJ/mol
Flash Point: 109.0±22.3 °C
Index of Refraction: 1.654
Molar Refractivity: 36.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -2.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 86.4±3.0 dyne/cm
Molar Volume: 98.5±3.0 cm3

Click to predict properties on the Chemicalize site


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