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Search term: MF = 'C_{9}H_{9}N_{5}S'
ChemSpider 2D Image | 1-(4-Imino-3(4H)-quinazolinyl)thiourea | C9H9N5S

1-(4-Imino-3(4H)-quinazolinyl)thiourea

  • Molecular FormulaC9H9N5S
  • Average mass219.266 Da
  • Monoisotopic mass219.057861 Da
  • ChemSpider ID58172106

More details:

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

1-(4-Imino-3(4H)-chinazolinyl)thioharnstoff [German] [ACD/IUPAC Name]
1-(4-Imino-3(4H)-quinazolinyl)thiourea [ACD/IUPAC Name]
1-(4-Imino-3(4H)-quinazolinyl)thiourée [French] [ACD/IUPAC Name]
Thiourea, N-(4-imino-3(4H)-quinazolinyl)- [ACD/Index Name]
N-[(4E)-4-iminoquinazolin-3(4H)-yl]thiourea

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

Density: 1.5±0.1 g/cm3
Boiling Point: 386.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.5±3.0 kJ/mol
Flash Point: 187.5±23.2 °C
Index of Refraction: 1.783
Molar Refractivity: 60.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.12
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.55
ACD/KOC (pH 5.5): 47.63
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.55
ACD/KOC (pH 7.4): 47.61
Polar Surface Area: 110 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 67.0±7.0 dyne/cm
Molar Volume: 142.9±7.0 cm3

Click to predict properties on the Chemicalize site


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