ChemSpider 2D Image | 4-[(4-Methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide | C11H11N3S2

4-[(4-Methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide

  • Molecular FormulaC11H11N3S2
  • Average mass249.355 Da
  • Monoisotopic mass249.039444 Da
  • ChemSpider ID24367225

More details:

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

4-[(4-methyl-1,3-thiazol-2-yl)amino]benzene-1-carbothioamide
4-[(4-Methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide [ACD/IUPAC Name]
4-[(4-Méthyl-1,3-thiazol-2-yl)amino]benzènecarbothioamide [French] [ACD/IUPAC Name]
4-[(4-Methyl-1,3-thiazol-2-yl)amino]benzolcarbothioamid [German] [ACD/IUPAC Name]
Benzenecarbothioamide, 4-[(4-methyl-2-thiazolyl)amino]- [ACD/Index Name]
MFCD11135446 [MDL number]
1019535-31-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 424.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 210.5±31.5 °C
Index of Refraction: 1.742
Molar Refractivity: 73.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.13
ACD/KOC (pH 5.5): 403.35
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.35
ACD/KOC (pH 7.4): 419.06
Polar Surface Area: 111 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 74.3±3.0 dyne/cm
Molar Volume: 181.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement