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Search term: 96397851 (Found by CSID)
ChemSpider 2D Image | 3-{[(2-{[(E)-Hydrazonomethyl]amino}-1,3-thiazol-4-yl)methyl]sulfanyl}propanoic acid | C8H12N4O2S2

3-{[(2-{[(E)-Hydrazonomethyl]amino}-1,3-thiazol-4-yl)methyl]sulfanyl}propanoic acid

  • Molecular FormulaC8H12N4O2S2
  • Average mass260.336 Da
  • Monoisotopic mass260.040161 Da
  • ChemSpider ID96397851

More details:

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

3-{[(2-{[(E)-Hydrazonomethyl]amino}-1,3-thiazol-4-yl)methyl]sulfanyl}propanoic acid [ACD/IUPAC Name]
3-{[(2-{[(E)-Hydrazonomethyl]amino}-1,3-thiazol-4-yl)methyl]sulfanyl}propansäure [German] [ACD/IUPAC Name]
Acide 3-{[(2-{[(E)-hydrazonométhyl]amino}-1,3-thiazol-4-yl)méthyl]sulfanyl}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[[2-[[(E)-hydrazinylidenemethyl]amino]-4-thiazolyl]methyl]thio]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 514.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 264.8±32.9 °C
Index of Refraction: 1.708
Molar Refractivity: 65.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.67
ACD/LogD (pH 7.4): -2.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 70.5±7.0 dyne/cm
Molar Volume: 167.4±7.0 cm3

Click to predict properties on the Chemicalize site


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