ChemSpider 2D Image | (Hydroxymethyl)methylcarbamothioic S-acid | C3H7NO2S

(Hydroxymethyl)methylcarbamothioic S-acid

  • Molecular FormulaC3H7NO2S
  • Average mass121.158 Da
  • Monoisotopic mass121.019745 Da
  • ChemSpider ID24194668

More details:






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

(Hydroxymethyl)methylcarbamothioic S-acid [ACD/IUPAC Name]
(Hydroxymethyl)methylcarbamothio-S-säure [German] [ACD/IUPAC Name]
Carbamothioic acid, N-(hydroxymethyl)-N-methyl- [ACD/Index Name]
S-Acide de (hydroxyméthyl)méthylcarbamothioïque [French] [ACD/IUPAC Name]
{[HYDROXY(CARBONOTHIOYL)](METHYL)AMINO}METHANOL
712262-78-7 [RN]
Carbamothioic acid, (hydroxymethyl)methyl- (9CI)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 249.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 56.5±6.0 kJ/mol
Flash Point: 104.5±27.9 °C
Index of Refraction: 1.622
Molar Refractivity: 30.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.09
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.26
ACD/LogD (pH 7.4): -2.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 82.6±3.0 dyne/cm
Molar Volume: 85.3±3.0 cm3

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