ChemSpider 2D Image | 4-[(5E)-2,4,6-Trioxo-5-(2-thienylmethylene)tetrahydro-1(2H)-pyrimidinyl]benzoic acid | C16H10N2O5S

4-[(5E)-2,4,6-Trioxo-5-(2-thienylmethylene)tetrahydro-1(2H)-pyrimidinyl]benzoic acid

  • Molecular FormulaC16H10N2O5S
  • Average mass342.326 Da
  • Monoisotopic mass342.031036 Da
  • ChemSpider ID22934450

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(5E)-2,4,6-Trioxo-5-(2-thienylmethylen)tetrahydro-1(2H)-pyrimidinyl]benzoesäure [German] [ACD/IUPAC Name]
4-[(5E)-2,4,6-Trioxo-5-(2-thienylmethylene)tetrahydro-1(2H)-pyrimidinyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[(5E)-2,4,6-trioxo-5-(2-thiénylméthylène)tétrahydro-1(2H)-pyrimidinyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(5E)-tetrahydro-2,4,6-trioxo-5-(2-thienylmethylene)-1(2H)-pyrimidinyl]- [ACD/Index Name]
4-[(5E)-2,4,6-TRIOXO-5-(THIOPHEN-2-YLMETHYLIDENE)-1,3-DIAZINAN-1-YL]BENZOIC ACID

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.725
Molar Refractivity: 86.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 16.90
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 79.3±3.0 dyne/cm
Molar Volume: 217.0±3.0 cm3

Click to predict properties on the Chemicalize site


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