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

ChemSpider 2D Image | 1,2-Thiazetidine-4-carboxylic acid 1,1-dioxide | C3H5NO4S

1,2-Thiazetidine-4-carboxylic acid 1,1-dioxide

  • Molecular FormulaC3H5NO4S
  • Average mass151.141 Da
  • Monoisotopic mass150.993927 Da
  • ChemSpider ID61407533

More details:






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

1,2-Thiazetidin-4-carbonsäure-1,1-dioxid [German] [ACD/IUPAC Name]
1,2-Thiazetidine-4-carboxylic acid 1,1-dioxide [ACD/IUPAC Name]
1,2-Thiazetidine-4-carboxylic acid, 1,1-dioxide [ACD/Index Name]
Acide 1,1-dioxyde de -1,2-thiazétidine-4-carboxylique [French] [ACD/IUPAC Name]
1934986-81-8 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 409.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.6±6.0 kJ/mol
Flash Point: 201.3±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 28.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.38
ACD/LogD (pH 5.5): -5.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 11.1±0.5 10-24cm3
Surface Tension: 70.3±3.0 dyne/cm
Molar Volume: 85.8±3.0 cm3

Click to predict properties on the Chemicalize site






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