Found 20 results

Search term: MF = 'C_{12}H_{7}ClN_{2}O_{3}S_{2}'
ChemSpider 2D Image | Methyl 2-(1,3-benzoxazol-2-ylsulfanyl)-4-chloro-1,3-thiazole-5-carboxylate | C12H7ClN2O3S2

Methyl 2-(1,3-benzoxazol-2-ylsulfanyl)-4-chloro-1,3-thiazole-5-carboxylate

  • Molecular FormulaC12H7ClN2O3S2
  • Average mass326.779 Da
  • Monoisotopic mass325.958649 Da
  • ChemSpider ID38366309

More details:

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

2-(1,3-Benzoxazol-2-ylsulfanyl)-4-chloro-1,3-thiazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-(2-benzoxazolylthio)-4-chloro-, methyl ester [ACD/Index Name]
Methyl 2-(1,3-benzoxazol-2-ylsulfanyl)-4-chloro-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Methyl-2-(1,3-benzoxazol-2-ylsulfanyl)-4-chlor-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 497.1±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.4±29.6 °C
Index of Refraction: 1.709
Molar Refractivity: 79.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 179.20
ACD/KOC (pH 5.5): 1427.40
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 179.20
ACD/KOC (pH 7.4): 1427.40
Polar Surface Area: 119 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 80.2±5.0 dyne/cm
Molar Volume: 202.8±5.0 cm3

Click to predict properties on the Chemicalize site


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