ChemSpider 2D Image | (3-{[(Methylsulfanyl)carbonothioyl]amino}propyl)phosphonic acid | C5H12NO3PS2

(3-{[(Methylsulfanyl)carbonothioyl]amino}propyl)phosphonic acid

  • Molecular FormulaC5H12NO3PS2
  • Average mass229.257 Da
  • Monoisotopic mass228.999619 Da
  • ChemSpider ID28667103

More details:

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

(3-{[(Methylsulfanyl)carbonothioyl]amino}propyl)phosphonic acid [ACD/IUPAC Name]
(3-{[(Methylsulfanyl)carbonothioyl]amino}propyl)phosphonsäure [German] [ACD/IUPAC Name]
Acide (3-{[(méthylsulfanyl)carbonothioyl]amino}propyl)phosphonique [French] [ACD/IUPAC Name]
Carbamodithioic acid, N-(3-phosphonopropyl)-, methyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 434.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±6.0 kJ/mol
Flash Point: 216.7±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 54.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.67
ACD/LogD (pH 5.5): -3.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 73.0±3.0 dyne/cm
Molar Volume: 158.0±3.0 cm3

Click to predict properties on the Chemicalize site


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