Found 88 results

Search term: MF = 'C_{7}H_{6}N_{6}S'
ChemSpider 2D Image | (7-Amino-5-thioxo-1,5-dihydro[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetonitrile | C7H6N6S

(7-Amino-5-thioxo-1,5-dihydro[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetonitrile

  • Molecular FormulaC7H6N6S
  • Average mass206.228 Da
  • Monoisotopic mass206.037460 Da
  • ChemSpider ID21787341

More details:

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

(7-Amino-5-thioxo-1,5-dihydro[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetonitril [German] [ACD/IUPAC Name]
(7-Amino-5-thioxo-1,5-dihydro[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetonitrile [ACD/IUPAC Name]
(7-Amino-5-thioxo-1,5-dihydro[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acétonitrile [French] [ACD/IUPAC Name]
[1,2,4]Triazolo[1,5-c]pyrimidine-2-acetonitrile, 7-amino-1,5-dihydro-5-thioxo- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 429.4±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 213.5±29.3 °C
Index of Refraction: 1.907
Molar Refractivity: 54.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.57
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.72
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.01
Polar Surface Area: 122 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 86.0±7.0 dyne/cm
Molar Volume: 115.4±7.0 cm3

Click to predict properties on the Chemicalize site


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