ChemSpider 2D Image | ethionamide S-oxide | C8H10N2OS

ethionamide S-oxide

  • Molecular FormulaC8H10N2OS
  • Average mass182.243 Da
  • Monoisotopic mass182.051376 Da
  • ChemSpider ID22803331

More details:

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

(Z)-[Amino(2-ethyl-4-pyridinyl)methylen]sulfoniumolat [German] [ACD/IUPAC Name]
(Z)-[Amino(2-ethyl-4-pyridinyl)methylene]sulfoniumolate [ACD/IUPAC Name]
(Z)-[Amino(2-éthyl-4-pyridinyl)méthylène]sulfoniumolate [French] [ACD/IUPAC Name]
4-Pyridinemethanamine, 2-ethyl-α-(hydroxysulfonio)-, inner salt, (αZ)- [ACD/Index Name]
536-28-7 [RN]
ethionamide S-oxide
ETHIONAMIDE SULFOXIDE
(2-ethyl-4-pyridyl)-sulfinyl-methanamine
(2-ethylpyridin-4-yl)(sulfinylidene)methanamine
(2-ethylpyridin-4-yl)-sulfinylmethanamine
More...

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

  • Miscellaneous

    • Chemical Class:

      A member of the class of pyridines that is the <element>S</element>-oxide and active metabolite of the antitubercular drug ethionamide. ChEBI CHEBI:87805
      A member of the class of pyridines that is the S-oxide and active metabolite of the antitubercular drug ethionamide. ChEBI CHEBI:87805

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 50.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 62 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 145.2±7.0 cm3

Click to predict properties on the Chemicalize site


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