ChemSpider 2D Image | 1-{4-[({2-[(4-Amino-1-oxido-2,5-dihydro-1,2,5-thiadiazol-3-yl)amino]ethyl}sulfanyl)methyl]-1,3-thiazol-2-yl}guanidine | C9H16N8OS3

1-{4-[({2-[(4-Amino-1-oxido-2,5-dihydro-1,2,5-thiadiazol-3-yl)amino]ethyl}sulfanyl)methyl]-1,3-thiazol-2-yl}guanidine

  • Molecular FormulaC9H16N8OS3
  • Average mass348.471 Da
  • Monoisotopic mass348.060913 Da
  • ChemSpider ID25994156

More details:






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

1-{4-[({2-[(4-Amino-1-oxido-2,5-dihydro-1,2,5-thiadiazol-3-yl)amino]ethyl}sulfanyl)methyl]-1,3-thiazol-2-yl}guanidin [German] [ACD/IUPAC Name]
1-{4-[({2-[(4-Amino-1-oxido-2,5-dihydro-1,2,5-thiadiazol-3-yl)amino]ethyl}sulfanyl)methyl]-1,3-thiazol-2-yl}guanidine [ACD/IUPAC Name]
1-{4-[({2-[(4-Amino-1-oxydo-2,5-dihydro-1,2,5-thiadiazol-3-yl)amino]éthyl}sulfanyl)méthyl]-1,3-thiazol-2-yl}guanidine [French] [ACD/IUPAC Name]
Guanidine, N-[4-[[[2-[(4-amino-2,5-dihydro-1-oxido-1,2,5-thiadiazol-3-yl)amino]ethyl]thio]methyl]-2-thiazolyl]- [ACD/Index Name]
2-[4-[2-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]ethylsulfanylmethyl]-1,3-thiazol-2-yl]guanidine

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

Density: 2.0±0.1 g/cm3
Boiling Point: 629.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.7±34.3 °C
Index of Refraction: 1.967
Molar Refractivity: 84.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.36
ACD/LogD (pH 5.5): -4.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 229 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 125.1±7.0 dyne/cm
Molar Volume: 172.6±7.0 cm3

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