ChemSpider 2D Image | {[1-(4-Hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetic acid | C9H8N4O3S

{[1-(4-Hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetic acid

  • Molecular FormulaC9H8N4O3S
  • Average mass252.250 Da
  • Monoisotopic mass252.031708 Da
  • ChemSpider ID24738915

More details:

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

{[1-(4-Hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetic acid [ACD/IUPAC Name]
{[1-(4-Hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]thio]- [ACD/Index Name]
Acide {[1-(4-hydroxyphényl)-1H-tétrazol-5-yl]sulfanyl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 556.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 290.3±32.9 °C
Index of Refraction: 1.759
Molar Refractivity: 62.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): -1.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 78.7±7.0 dyne/cm
Molar Volume: 151.8±7.0 cm3

Click to predict properties on the Chemicalize site


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