ChemSpider 2D Image | 1-Amino-1,2,4-trideoxy-2-ethyl-5-S-methyl-5-thiopentitol | C8H19NOS

1-Amino-1,2,4-trideoxy-2-ethyl-5-S-methyl-5-thiopentitol

  • Molecular FormulaC8H19NOS
  • Average mass177.308 Da
  • Monoisotopic mass177.118729 Da
  • ChemSpider ID52544982

More details:

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

1-Amino-1,2,4-trideoxy-2-ethyl-5-S-methyl-5-thiopentitol [ACD/IUPAC Name]
1-Amino-1,2,4-tridesoxy-2-ethyl-5-S-methyl-5-thiopentitol [German] [ACD/IUPAC Name]
1-Amino-1,2,4-tridésoxy-2-éthyl-5-S-méthyl-5-thiopentitol [French] [ACD/IUPAC Name]
Pentitol, 1-amino-1,2,4-trideoxy-2-ethyl-5-S-methyl-5-thio- [ACD/Index Name]
1506332-37-1 [RN]
4-(aminomethyl)-1-(methylsulfanyl)hexan-3-ol
MFCD21804713

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

Density: 1.0±0.1 g/cm3
Boiling Point: 289.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 61.3±6.0 kJ/mol
Flash Point: 128.6±23.2 °C
Index of Refraction: 1.502
Molar Refractivity: 52.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): -2.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 72 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 176.5±3.0 cm3

Click to predict properties on the Chemicalize site


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