ChemSpider 2D Image | 3-{[5-(sec-Butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}-2-azepanone | C12H20N4OS2

3-{[5-(sec-Butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}-2-azepanone

  • Molecular FormulaC12H20N4OS2
  • Average mass300.443 Da
  • Monoisotopic mass300.107849 Da
  • ChemSpider ID22565013

More details:

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

2H-Azepin-2-one, hexahydro-3-[[5-[(1-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]thio]- [ACD/Index Name]
3-{[5-(sec-Butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}-2-azepanon [German] [ACD/IUPAC Name]
3-{[5-(sec-Butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}-2-azepanone [ACD/IUPAC Name]
3-{[5-(sec-Butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}-2-azépanone [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.587
Molar Refractivity: 80.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.79
ACD/KOC (pH 5.5): 215.69
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.79
ACD/KOC (pH 7.4): 215.73
Polar Surface Area: 120 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 238.4±5.0 cm3

Click to predict properties on the Chemicalize site


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