ChemSpider 2D Image | Amino(1,1-dioxido-3-thietanyl)acetic acid | C5H9NO4S

Amino(1,1-dioxido-3-thietanyl)acetic acid

  • Molecular FormulaC5H9NO4S
  • Average mass179.194 Da
  • Monoisotopic mass179.025223 Da
  • ChemSpider ID58669141

More details:






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

1779360-08-5 [RN]
2-amino-2-(1,1-dioxo-1??-thietan-3-yl)acetic acid
3-Thietaneacetic acid, α-amino-, 1,1-dioxide [ACD/Index Name]
Acide amino(1,1-dioxydo-3-thiétanyl)acétique [French] [ACD/IUPAC Name]
Amino(1,1-dioxido-3-thietanyl)acetic acid [ACD/IUPAC Name]
Amino(1,1-dioxido-3-thietanyl)essigsäure [German] [ACD/IUPAC Name]
2-Amino-2-(1,1-dioxidothietan-3-yl)acetic acid
2-amino-2-(1,1-dioxo-1λ6-thietan-3-yl)acetic acid
MFCD28520443

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

Density: 1.6±0.1 g/cm3
Boiling Point: 497.6±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.8±6.0 kJ/mol
Flash Point: 254.7±21.8 °C
Index of Refraction: 1.582
Molar Refractivity: 37.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.82
ACD/LogD (pH 5.5): -4.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 75.1±3.0 dyne/cm
Molar Volume: 111.5±3.0 cm3

Click to predict properties on the Chemicalize site






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