ChemSpider 2D Image | 4-(4-amino-6-sulfanyl-1,2-dihydro-1,3,5-triazin-2-yl)benzene-1,2-diol | C9H10N4O2S

4-(4-amino-6-sulfanyl-1,2-dihydro-1,3,5-triazin-2-yl)benzene-1,2-diol

  • Molecular FormulaC9H10N4O2S
  • Average mass238.266 Da
  • Monoisotopic mass238.052444 Da
  • ChemSpider ID21801332

More details:

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

1,2-Benzenediol, 4-(4-amino-1,2-dihydro-6-mercapto-1,3,5-triazin-2-yl)- [ACD/Index Name]
1142208-62-5 [RN]
4-(4-amino-6-sulfanyl-1,2-dihydro-1,3,5-triazin-2-yl)benzene-1,2-diol
4-amino-6-(3,4-dihydroxyphenyl)-1,2,5,6-tetrahydro-1,3,5-triazine-2-thione
4-Amino-6-(3,4-dihydroxyphenyl)-5,6-dihydro-1,3,5-triazin-2(1H)-thion [German] [ACD/IUPAC Name]
4-Amino-6-(3,4-dihydroxyphenyl)-5,6-dihydro-1,3,5-triazine-2(1H)-thione [ACD/IUPAC Name]
4-Amino-6-(3,4-dihydroxyphényl)-5,6-dihydro-1,3,5-triazine-2(1H)-thione [French] [ACD/IUPAC Name]
4-amino-6-(3,4-dihydroxyphenyl)-5,6-dihydro-1H-1,3,5-triazine-2-thione
[1142208-62-5] [RN]
4-(4-Amino-6-mercapto-1,2-dihydro-1,3,5-triazin-2-yl)benzene-1,2-diol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 475.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 241.5±31.5 °C
Index of Refraction: 1.828
Molar Refractivity: 59.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -0.31
ACD/LogD (pH 5.5): -2.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 76.9±7.0 dyne/cm
Molar Volume: 134.7±7.0 cm3

Click to predict properties on the Chemicalize site


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