Found 126 results

Search term: MF = 'C_{8}H_{7}ClN_{4}S_{2}'
ChemSpider 2D Image | Methyl N-(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamimidothioate | C8H7ClN4S2

Methyl N-(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamimidothioate

  • Molecular FormulaC8H7ClN4S2
  • Average mass258.751 Da
  • Monoisotopic mass257.980072 Da
  • ChemSpider ID31045750

More details:

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

Carbamimidothioic acid, N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-, methyl ester [ACD/Index Name]
Methyl N-(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamimidothioate [ACD/IUPAC Name]
Methyl-N-(5-chlor-2,1,3-benzothiadiazol-4-yl)carbamimidothioat [German] [ACD/IUPAC Name]
N-(5-Chloro-2,1,3-benzothiadiazol-4-yl)carbamimidothioate de méthyle [French] [ACD/IUPAC Name]
(5-Chloro-2,1,3-benzothiadiazol-4-yl)-carbamimidothioic Acid Methyl Ester Hydriodide Salt
51323-03-6 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 365.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.2±3.0 kJ/mol
Flash Point: 175.0±30.7 °C
Index of Refraction: 1.802
Molar Refractivity: 65.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.37
ACD/KOC (pH 5.5): 459.00
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.04
ACD/KOC (pH 7.4): 479.42
Polar Surface Area: 115 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 69.1±7.0 dyne/cm
Molar Volume: 152.8±7.0 cm3

Click to predict properties on the Chemicalize site


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