Found 1529 results

Search term: MF = 'C_{9}H_{16}N_{4}O_{3}S'
ChemSpider 2D Image | 3-[(1-Methyl-4-nitro-1H-imidazol-5-yl)amino]-4-(methylsulfanyl)-1-butanol | C9H16N4O3S

3-[(1-Methyl-4-nitro-1H-imidazol-5-yl)amino]-4-(methylsulfanyl)-1-butanol

  • Molecular FormulaC9H16N4O3S
  • Average mass260.313 Da
  • Monoisotopic mass260.094299 Da
  • ChemSpider ID30183295

More details:

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

1-Butanol, 3-[(1-methyl-4-nitro-1H-imidazol-5-yl)amino]-4-(methylthio)- [ACD/Index Name]
3-[(1-Methyl-4-nitro-1H-imidazol-5-yl)amino]-4-(methylsulfanyl)-1-butanol [German] [ACD/IUPAC Name]
3-[(1-Methyl-4-nitro-1H-imidazol-5-yl)amino]-4-(methylsulfanyl)-1-butanol [ACD/IUPAC Name]
3-[(1-Méthyl-4-nitro-1H-imidazol-5-yl)amino]-4-(méthylsulfanyl)-1-butanol [French] [ACD/IUPAC Name]
3-[(1-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)AMINO]-4-(METHYLSULFANYL)BUTAN-1-OL
3-[(3-METHYL-5-NITROIMIDAZOL-4-YL)AMINO]-4-(METHYLSULFANYL)BUTAN-1-OL

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

Density: 1.4±0.1 g/cm3
Boiling Point: 566.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 296.2±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 65.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 2.10
ACD/KOC (pH 5.5): 59.18
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 2.10
ACD/KOC (pH 7.4): 59.21
Polar Surface Area: 121 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 184.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement