ChemSpider 2D Image | 1-[(2S)-1-(1H-Imidazol-4-yl)-2-propanyl]-3-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)guanidine | C14H23N7S

1-[(2S)-1-(1H-Imidazol-4-yl)-2-propanyl]-3-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)guanidine

  • Molecular FormulaC14H23N7S
  • Average mass321.444 Da
  • Monoisotopic mass321.173553 Da
  • ChemSpider ID23111886
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-[(2S)-1-(1H-Imidazol-4-yl)-2-propanyl]-3-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)guanidin [German] [ACD/IUPAC Name]
1-[(2S)-1-(1H-Imidazol-4-yl)-2-propanyl]-3-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)guanidine [ACD/IUPAC Name]
1-[(2S)-1-(1H-Imidazol-4-yl)-2-propanyl]-3-(2-{[(4-méthyl-1H-imidazol-5-yl)méthyl]sulfanyl}éthyl)guanidine [French] [ACD/IUPAC Name]
Guanidine, N-[(1S)-2-(1H-imidazol-5-yl)-1-methylethyl]-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]- [ACD/Index Name]
2-[(2S)-1-(1H-imidazol-4-yl)propan-2-yl]-1-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)guanidine
N-[2-(1H-Imidazol-4-yl)-1-methyl-ethyl]-N'-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine(S-sopromidine)
S-(+)-Sopromidine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 669.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.7±34.3 °C
Index of Refraction: 1.674
Molar Refractivity: 89.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.22
ACD/LogD (pH 5.5): -3.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 238.8±7.0 cm3

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