ChemSpider 2D Image | 1-[5-(Isopropoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine | C8H15N3OS

1-[5-(Isopropoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine

  • Molecular FormulaC8H15N3OS
  • Average mass201.289 Da
  • Monoisotopic mass201.093582 Da
  • ChemSpider ID46005208

More details:

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

1,3,4-Thiadiazole-2-methanamine, α-methyl-5-[(1-methylethoxy)methyl]- [ACD/Index Name]
1-[5-(Isopropoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamin [German] [ACD/IUPAC Name]
1-[5-(Isopropoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine [ACD/IUPAC Name]
1-[5-(Isopropoxyméthyl)-1,3,4-thiadiazol-2-yl]éthanamine [French] [ACD/IUPAC Name]
1-{5-[(propan-2-yloxy)methyl]-1,3,4-thiadiazol-2-yl}ethan-1-amine
1565395-60-9 [RN]
MFCD26055121

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

Density: 1.1±0.1 g/cm3
Boiling Point: 306.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.7±3.0 kJ/mol
Flash Point: 139.0±23.7 °C
Index of Refraction: 1.534
Molar Refractivity: 54.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.34
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.26
Polar Surface Area: 89 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 175.2±3.0 cm3

Click to predict properties on the Chemicalize site


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