Found 56 results

Search term: MF = 'C_{5}H_{7}N_{3}O_{2}S_{2}'
ChemSpider 2D Image | Methyl 3-imino-5-(methylsulfanyl)-1,2,4-thiadiazole-2(3H)-carboxylate | C5H7N3O2S2

Methyl 3-imino-5-(methylsulfanyl)-1,2,4-thiadiazole-2(3H)-carboxylate

  • Molecular FormulaC5H7N3O2S2
  • Average mass205.258 Da
  • Monoisotopic mass204.997971 Da
  • ChemSpider ID32775126

More details:

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

1,2,4-Thiadiazole-2(3H)-carboxylic acid, 3-imino-5-(methylthio)-, methyl ester [ACD/Index Name]
3-Imino-5-(méthylsulfanyl)-1,2,4-thiadiazole-2(3H)-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-imino-5-(methylsulfanyl)-1,2,4-thiadiazole-2(3H)-carboxylate [ACD/IUPAC Name]
Methyl-3-imino-5-(methylsulfanyl)-1,2,4-thiadiazol-2(3H)-carboxylat [German] [ACD/IUPAC Name]
71466-79-0 [RN]
methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 263.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.1±3.0 kJ/mol
Flash Point: 113.0±22.6 °C
Index of Refraction: 1.701
Molar Refractivity: 49.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.23
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.95
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.95
Polar Surface Area: 116 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 64.6±7.0 dyne/cm
Molar Volume: 127.8±7.0 cm3

Click to predict properties on the Chemicalize site


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