ChemSpider 2D Image | S-1,3-Benzoxazol-2-yl 3-nitrobenzenecarbothioate | C14H8N2O4S

S-1,3-Benzoxazol-2-yl 3-nitrobenzenecarbothioate

  • Molecular FormulaC14H8N2O4S
  • Average mass300.289 Da
  • Monoisotopic mass300.020477 Da
  • ChemSpider ID21662585

More details:

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

3-Nitrobenzènecarbothioate de S-1,3-benzoxazol-2-yle [French] [ACD/IUPAC Name]
Benzenecarbothioic acid, 3-nitro-, S-2-benzoxazolyl ester [ACD/Index Name]
S-1,3-Benzoxazol-2-yl 3-nitrobenzenecarbothioate [ACD/IUPAC Name]
S-1,3-Benzoxazol-2-yl-3-nitrobenzolcarbothioat [German] [ACD/IUPAC Name]
(1,3-benzoxazol-2-ylsulfanyl)(3-nitrophenyl)methanone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 499.5±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 255.9±29.3 °C
Index of Refraction: 1.718
Molar Refractivity: 78.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 215.49
ACD/KOC (pH 5.5): 1628.81
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 215.49
ACD/KOC (pH 7.4): 1628.82
Polar Surface Area: 114 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 77.3±5.0 dyne/cm
Molar Volume: 198.2±5.0 cm3

Click to predict properties on the Chemicalize site


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