ChemSpider 2D Image | 2-amino-6-((p-tolylthio)methyl)pyrimidin-4-ol | C12H13N3OS

2-amino-6-((p-tolylthio)methyl)pyrimidin-4-ol

  • Molecular FormulaC12H13N3OS
  • Average mass247.316 Da
  • Monoisotopic mass247.077927 Da
  • ChemSpider ID21805019

More details:






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

1114596-99-4 [RN]
2-amino-6-((p-tolylthio)methyl)pyrimidin-4-ol
2-Amino-6-{[(4-methylphenyl)sulfanyl]methyl}-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
2-Amino-6-{[(4-methylphenyl)sulfanyl]methyl}-4(1H)-pyrimidinone [ACD/IUPAC Name]
2-Amino-6-{[(4-méthylphényl)sulfanyl]méthyl}-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2-amino-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4-ol
4-Pyrimidinol, 2-amino-6-[[(4-methylphenyl)thio]methyl]- [ACD/Index Name]
[1114596-99-4] [RN]
2-AMINO-6-([(4-METHYLPHENYL)THIO]METHYL)PYRIMIDIN-4-OL
2-AMINO-6-(1,1-DIMETHYL-PROPYL)-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12027012 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 516.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 266.2±32.9 °C
Index of Refraction: 1.684
Molar Refractivity: 69.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.72
ACD/KOC (pH 5.5): 21.97
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 1.68
ACD/KOC (pH 7.4): 21.51
Polar Surface Area: 97 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 77.3±5.0 dyne/cm
Molar Volume: 183.0±5.0 cm3

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