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Search term: MF = 'C_{9}H_{16}N_{4}O_{3}S'
ChemSpider 2D Image | 3-Methoxybutyl [(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetate | C9H16N4O3S

3-Methoxybutyl [(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetate

  • Molecular FormulaC9H16N4O3S
  • Average mass260.313 Da
  • Monoisotopic mass260.094299 Da
  • ChemSpider ID30410151

More details:

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

[(1-Méthyl-1H-tétrazol-5-yl)sulfanyl]acétate de 3-méthoxybutyle [French] [ACD/IUPAC Name]
3-Methoxybutyl [(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetate [ACD/IUPAC Name]
3-Methoxybutyl-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-[(1-methyl-1H-tetrazol-5-yl)thio]-, 3-methoxybutyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 405.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 199.1±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 65.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.64
ACD/KOC (pH 5.5): 49.53
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.64
ACD/KOC (pH 7.4): 49.53
Polar Surface Area: 104 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 196.1±7.0 cm3

Click to predict properties on the Chemicalize site


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