Found 4 results

Search term: LORYZZKMLDBECK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-{(E)-[(Isopropylcarbamothioyl)hydrazono]methyl}benzoic acid | C12H15N3O2S

4-{(E)-[(Isopropylcarbamothioyl)hydrazono]methyl}benzoic acid

  • Molecular FormulaC12H15N3O2S
  • Average mass265.331 Da
  • Monoisotopic mass265.088501 Da
  • ChemSpider ID22832621

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{(E)-[(Isopropylcarbamothioyl)hydrazono]methyl}benzoesäure [German] [ACD/IUPAC Name]
4-{(E)-[(Isopropylcarbamothioyl)hydrazono]methyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{(E)-[(isopropylcarbamothioyl)hydrazono]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(E)-[2-[[(1-methylethyl)amino]thioxomethyl]hydrazinylidene]methyl]- [ACD/Index Name]
4-[(1E)-({[(PROPAN-2-YL)CARBAMOTHIOYL]AMINO}IMINO)METHYL]BENZOIC ACID
4-[(1E)-{[(ISOPROPYLCARBAMOTHIOYL)AMINO]IMINO}METHYL]BENZOIC ACID

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

Density: 1.2±0.1 g/cm3
Boiling Point: 418.6±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 207.0±29.3 °C
Index of Refraction: 1.603
Molar Refractivity: 73.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 1.87
ACD/KOC (pH 5.5): 17.74
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 213.0±7.0 cm3

Click to predict properties on the Chemicalize site


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