Found 88 results

Search term: MF = 'C_{7}H_{6}N_{6}S'
ChemSpider 2D Image | (4-Amino-6-thioxo-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile | C7H6N6S

(4-Amino-6-thioxo-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile

  • Molecular FormulaC7H6N6S
  • Average mass206.228 Da
  • Monoisotopic mass206.037460 Da
  • ChemSpider ID30911569

More details:

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

(4-Amino-6-thioxo-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitril [German] [ACD/IUPAC Name]
(4-Amino-6-thioxo-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile [ACD/IUPAC Name]
(4-Amino-6-thioxo-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-3-yl)acétonitrile [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyrimidine-3-acetonitrile, 4-amino-6,7-dihydro-6-thioxo- [ACD/Index Name]
1h-pyrazolo[3,4-d]pyrimidine-3-acetonitrile,4-amino-6,7-dihydro-6-thioxo-
60269-98-9 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 603.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.5±34.3 °C
Index of Refraction: 1.957
Molar Refractivity: 53.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.20
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.40
ACD/LogD (pH 7.4): -0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.03
Polar Surface Area: 135 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 90.4±7.0 dyne/cm
Molar Volume: 109.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement