Found 78 results

Search term: MF = 'C_{4}H_{9}NO_{4}S'

ChemSpider 2D Image | MFCD11168961 | C4H9NO4S

MFCD11168961

  • Molecular FormulaC4H9NO4S
  • Average mass167.184 Da
  • Monoisotopic mass167.025223 Da
  • ChemSpider ID27933082

More details:






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

3-(Methylsulfamoyl)propanoic acid [ACD/IUPAC Name]
3-(Methylsulfamoyl)propansäure [German] [ACD/IUPAC Name]
3-[(Methylamino)sulfonyl]propanoic acid
Acide 3-(méthylsulfamoyl)propanoïque [French] [ACD/IUPAC Name]
MFCD11168961
Propanoic acid, 3-[(methylamino)sulfonyl]- [ACD/Index Name]
933714-87-5 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 349.1±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.2±6.0 kJ/mol
Flash Point: 164.9±28.4 °C
Index of Refraction: 1.494
Molar Refractivity: 34.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.15
ACD/LogD (pH 5.5): -2.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 119.0±3.0 cm3

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