ChemSpider 2D Image | (2Z)-2-(Carbamothioylhydrazono)pentanedioic acid | C6H9N3O4S

(2Z)-2-(Carbamothioylhydrazono)pentanedioic acid

  • Molecular FormulaC6H9N3O4S
  • Average mass219.218 Da
  • Monoisotopic mass219.031372 Da
  • ChemSpider ID24760848

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(Carbamothioylhydrazono)pentandisäure [German] [ACD/IUPAC Name]
(2Z)-2-(Carbamothioylhydrazono)pentanedioic acid [ACD/IUPAC Name]
Acide (2Z)-2-(carbamothioylhydrazono)pentanedioïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 2-[2-(aminothioxomethyl)hydrazinylidene]-, (2Z)- [ACD/Index Name]
2-{[(aminothioxomethyl)amino]azamethylene}pentanedioic acid
PENTANEDIOIC ACID, 2-[(AMINOTHIOXOMETHYL)HYDRAZONO]-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 492.5±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.2±6.0 kJ/mol
Flash Point: 251.6±29.3 °C
Index of Refraction: 1.656
Molar Refractivity: 49.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.14
ACD/LogD (pH 5.5): -5.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 69.1±7.0 dyne/cm
Molar Volume: 133.2±7.0 cm3

Click to predict properties on the Chemicalize site


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