Found 128 results

Search term: MF = 'C_{14}H_{13}N_{5}O_{5}S'
ChemSpider 2D Image | Dimethyl 5-{[(3-cyano-1H-1,2,4-triazol-1-yl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate | C14H13N5O5S

Dimethyl 5-{[(3-cyano-1H-1,2,4-triazol-1-yl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate

  • Molecular FormulaC14H13N5O5S
  • Average mass363.349 Da
  • Monoisotopic mass363.063751 Da
  • ChemSpider ID21892341

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[[2-(3-cyano-1H-1,2,4-triazol-1-yl)acetyl]amino]-3-methyl-, dimethyl ester [ACD/Index Name]
5-{[2-(3-Cyano-1H-1,2,4-triazol-1-yl)acétyl]amino}-3-méthyl-2,4-thiophènedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-{[(3-cyano-1H-1,2,4-triazol-1-yl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
Dimethyl-5-{[(3-cyan-1H-1,2,4-triazol-1-yl)acetyl]amino}-3-methyl-2,4-thiophendicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 89.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.48
ACD/KOC (pH 5.5): 117.61
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.45
ACD/KOC (pH 7.4): 117.05
Polar Surface Area: 164 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 239.4±7.0 cm3

Click to predict properties on the Chemicalize site


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