ChemSpider 2D Image | Allyl [(6-nitro-1,3-benzothiazol-2-yl)sulfonyl]acetate | C12H10N2O6S2

Allyl [(6-nitro-1,3-benzothiazol-2-yl)sulfonyl]acetate

  • Molecular FormulaC12H10N2O6S2
  • Average mass342.348 Da
  • Monoisotopic mass341.998016 Da
  • ChemSpider ID57431003

More details:

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

[(6-Nitro-1,3-benzothiazol-2-yl)sulfonyl]acétate d'allyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[(6-nitro-2-benzothiazolyl)sulfonyl]-, 2-propen-1-yl ester [ACD/Index Name]
Allyl [(6-nitro-1,3-benzothiazol-2-yl)sulfonyl]acetate [ACD/IUPAC Name]
Allyl-[(6-nitro-1,3-benzothiazol-2-yl)sulfonyl]acetat [German] [ACD/IUPAC Name]
76151-73-0 [RN]
ACETIC ACID, [(6-NITRO-2-BENZOTHIAZOLYL)SULFONYL]-, 2-PROPENYL ESTER
Prop-2-en-1-yl (6-nitro-1,3-benzothiazole-2-sulfonyl)acetate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 541.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.0±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 79.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.20
ACD/KOC (pH 5.5): 350.50
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.20
ACD/KOC (pH 7.4): 350.50
Polar Surface Area: 156 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 224.5±3.0 cm3

Click to predict properties on the Chemicalize site


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