ChemSpider 2D Image | CHEMBL2089125 | C13H17N5OS

CHEMBL2089125

  • Molecular FormulaC13H17N5OS
  • Average mass291.372 Da
  • Monoisotopic mass291.115387 Da
  • ChemSpider ID26330359
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-[(4S)-4-Amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidin [German] [ACD/IUPAC Name]
1-[(4S)-4-Amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine [ACD/IUPAC Name]
1-[(4S)-4-Amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine [French] [ACD/IUPAC Name]
CHEMBL2089125
Guanidine, N-[(4S)-4-amino-5-(2-benzothiazolyl)-5-oxopentyl]- [ACD/Index Name]
argininylbenzo[d]thiazole

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

G5BW2593EP [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 486.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.2±31.5 °C
Index of Refraction: 1.723
Molar Refractivity: 77.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.52
ACD/LogD (pH 5.5): -2.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 67.4±7.0 dyne/cm
Molar Volume: 196.5±7.0 cm3

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