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Search term: YBBDDARIUGACPP (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Methyl 3-[(3-amino-2-thienyl)sulfanyl]propanoate | C8H11NO2S2

Methyl 3-[(3-amino-2-thienyl)sulfanyl]propanoate

  • Molecular FormulaC8H11NO2S2
  • Average mass217.308 Da
  • Monoisotopic mass217.023117 Da
  • ChemSpider ID26498873

More details:






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

3-[(3-Amino-2-thiényl)sulfanyl]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[(3-amino-2-thienyl)sulfanyl]propanoate [ACD/IUPAC Name]
Methyl-3-[(3-amino-2-thienyl)sulfanyl]propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-[(3-amino-2-thienyl)thio]-, methyl ester [ACD/Index Name]
1287218-52-3 [RN]
methyl 3-((3-aminothiophen-2-yl)thio)propanoate
methyl 3-(3-aminothiophen-2-yl)sulfanylpropanoate
Methyl 3-[(3-Aminothien-2-yl)thio]propanoate
methyl 3-[(3-aminothiophen-2-yl)sulfanyl]propanoate
MFCD16622230 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 372.9±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 179.3±25.1 °C
Index of Refraction: 1.598
Molar Refractivity: 56.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.70
ACD/KOC (pH 5.5): 202.07
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.76
ACD/KOC (pH 7.4): 203.14
Polar Surface Area: 106 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 166.7±5.0 cm3

Click to predict properties on the Chemicalize site






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