ChemSpider 2D Image | 1-hydroxy-5-(methylthio)-3-oxopent-1-en-2-olate | C6H9O3S

1-hydroxy-5-(methylthio)-3-oxopent-1-en-2-olate

  • Molecular FormulaC6H9O3S
  • Average mass161.199 Da
  • Monoisotopic mass161.027786 Da
  • ChemSpider ID26331365

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(1Z)-1-Hydroxy-5-(methylsulfanyl)-3-oxo-1-penten-2-olat [German] [ACD/IUPAC Name]
(1Z)-1-Hydroxy-5-(methylsulfanyl)-3-oxo-1-penten-2-olate [ACD/IUPAC Name]
(1Z)-1-Hydroxy-5-(méthylsulfanyl)-3-oxo-1-pentén-2-olate [French] [ACD/IUPAC Name]
1-hydroxy-5-(methylthio)-3-oxopent-1-en-2-olate
1-Penten-3-one, 1,2-dihydroxy-5-(methylthio)-, ion(1-), (1Z)- [ACD/Index Name]
1,2-dihydroxy-3-keto-5-methylthiopentane
1,2-dihydroxy-3-keto-5-methylthiopentene
1,2-dihydroxy-3-keto-5-methylthiopentene anion
1,2-dihydroxy-5-(methylthio)pent-1-en-3-one
1-hydroxy-5-(methylsulfanyl)-3-oxopent-1-en-2-olate
More...

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

CHEBI:58795 [DBID]
  • Miscellaneous

    • Chemical Class:

      Conjugate base of 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one arising from deprotonation of the 2-hydroxy group. ChEBI CHEBI:58795

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

Density:
Boiling Point: 326.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.9±6.0 kJ/mol
Flash Point: 151.4±27.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.61
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.72
Polar Surface Area: 86 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement