ChemSpider 2D Image | 4-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-3-methyl-2-thiophenecarbaldehyde | C12H13N3OS

4-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-3-methyl-2-thiophenecarbaldehyde

  • Molecular FormulaC12H13N3OS
  • Average mass247.316 Da
  • Monoisotopic mass247.077927 Da
  • ChemSpider ID35034963

More details:






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

2-Thiophenecarboxaldehyde, 4-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-3-methyl- [ACD/Index Name]
4-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-3-methyl-2-thiophencarbaldehyd [German] [ACD/IUPAC Name]
4-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-3-methyl-2-thiophenecarbaldehyde [ACD/IUPAC Name]
4-[(4-Amino-2-méthyl-5-pyrimidinyl)méthyl]-3-méthyl-2-thiophènecarbaldéhyde [French] [ACD/IUPAC Name]
4-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]-3-Methylthiophene-2-Carbaldehyde

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

Density: 1.3±0.1 g/cm3
Boiling Point: 450.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 226.5±28.7 °C
Index of Refraction: 1.662
Molar Refractivity: 70.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 2.35
ACD/KOC (pH 5.5): 40.51
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.22
ACD/KOC (pH 7.4): 193.67
Polar Surface Area: 97 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 191.3±3.0 cm3

Click to predict properties on the Chemicalize site






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