ChemSpider 2D Image | 1,2-Oxazole-4-carbothioamide | C4H4N2OS

1,2-Oxazole-4-carbothioamide

  • Molecular FormulaC4H4N2OS
  • Average mass128.152 Da
  • Monoisotopic mass128.004440 Da
  • ChemSpider ID28544460

More details:

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

1,2-Oxazol-4-carbothioamid [German] [ACD/IUPAC Name]
1,2-Oxazole-4-carbothioamide [ACD/IUPAC Name]
1,2-Oxazole-4-carbothioamide [French] [ACD/IUPAC Name]
4-Isoxazolecarbothioamide [ACD/Index Name]
68251-67-2 [RN]
885274-81-7 [RN]
isoxazole-4-carbothioamide
ISOXAZOLE-4-CARBOTHIOIC ACID AMIDE
MFCD05662466
MFCD06738839

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

Density: 1.4±0.1 g/cm3
Boiling Point: 287.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.6±3.0 kJ/mol
Flash Point: 127.5±25.1 °C
Index of Refraction: 1.632
Molar Refractivity: 32.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.65
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.99
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.99
Polar Surface Area: 84 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 75.6±3.0 dyne/cm
Molar Volume: 92.0±3.0 cm3

Click to predict properties on the Chemicalize site


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