ChemSpider 2D Image | 5'-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamothioyl}amino)-5'-deoxythymidine | C18H18ClF3N4O4S

5'-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamothioyl}amino)-5'-deoxythymidine

  • Molecular FormulaC18H18ClF3N4O4S
  • Average mass478.873 Da
  • Monoisotopic mass478.068939 Da
  • ChemSpider ID28489565

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

5'-({[4-Chlor-3-(trifluormethyl)phenyl]carbamothioyl}amino)-5'-desoxythymidin [German] [ACD/IUPAC Name]
5'-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamothioyl}amino)-5'-deoxythymidine [ACD/IUPAC Name]
5'-({[4-Chloro-3-(trifluorométhyl)phényl]carbamothioyl}amino)-5'-désoxythymidine [French] [ACD/IUPAC Name]
Thymidine, 5'-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-5'-deoxy- [ACD/Index Name]
1-[4-Chloranyl-3-(Trifluoromethyl)phenyl]-3-[[(2r,3s)-5-[5-Methyl-2,4-Bis(Oxidanylidene)pyrimidin-1-Yl]-3-Oxidanyl-Oxolan-2-Yl]methyl]thiourea
74W

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: 1.623
Molar Refractivity: 108.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.28
ACD/KOC (pH 5.5): 256.43
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.16
ACD/KOC (pH 7.4): 254.48
Polar Surface Area: 135 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 308.9±3.0 cm3

Click to predict properties on the Chemicalize site


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