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]-2-(methylsulfanyl)-1-butanol | C9H16N4O3S

3-[(1-Methyl-4-nitro-1H-imidazol-5-yl)amino]-2-(methylsulfanyl)-1-butanol

  • Molecular FormulaC9H16N4O3S
  • Average mass260.313 Da
  • Monoisotopic mass260.094299 Da
  • ChemSpider ID30237694

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]-2-(methylthio)- [ACD/Index Name]
3-[(1-Methyl-4-nitro-1H-imidazol-5-yl)amino]-2-(methylsulfanyl)-1-butanol [German] [ACD/IUPAC Name]
3-[(1-Methyl-4-nitro-1H-imidazol-5-yl)amino]-2-(methylsulfanyl)-1-butanol [ACD/IUPAC Name]
3-[(1-Méthyl-4-nitro-1H-imidazol-5-yl)amino]-2-(méthylsulfanyl)-1-butanol [French] [ACD/IUPAC Name]
1384615-88-6 [RN]
3-[(1-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)AMINO]-2-(METHYLSULFANYL)BUTAN-1-OL
3-[(3-METHYL-5-NITROIMIDAZOL-4-YL)AMINO]-2-(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: 557.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 290.9±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 65.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 3.40
ACD/KOC (pH 5.5): 83.52
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 3.40
ACD/KOC (pH 7.4): 83.57
Polar Surface Area: 121 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 183.8±7.0 cm3

Click to predict properties on the Chemicalize site


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