Product Name

  • Name

    4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE

  • EINECS
  • CAS No. 33097-11-9
  • Article Data19
  • CAS DataBase
  • Density 1.57 g/cm3
  • Solubility
  • Melting Point 82-84°C
  • Formula C6H4Cl2N2OS
  • Boiling Point 327.7 °C at 760 mmHg
  • Molecular Weight 223.083
  • Flash Point 152 °C
  • Transport Information
  • Appearance Pale Yellow Solid
  • Safety 36/37
  • Risk Codes 22-43
  • Molecular Structure Molecular Structure of 33097-11-9 (4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE)
  • Hazard Symbols Xn
  • Synonyms 2-(Methylthio)-4,6-dichloropyrimidine-5-carboxaldehyde;4,6-Dichloro-2-(methylthio)-5-pyrimidinecarboxaldehyde;4,6-Dichloro-2-methylsulfanylpyrimidine-5-carboxaldehyde;
  • PSA 68.15000
  • LogP 2.31780

4,6-Dichloro-2-methylsulfanylpyrimidine-5-carbaldehyde Specification

The 4,6-Dichloro-2-methylsulfanylpyrimidine-5-carbaldehyde with the CAS number 33097-11-9 is also called 5-Pyrimidinecarboxaldehyde,4,6-dichloro-2-(methylthio)-. Its molecular formula is C6H4Cl2N2OS. This chemical belongs to the following product categories: (1)Nucleotides and Nucleosides; (2)Bases & Related Reagents; (3)Nucleotides.

The properties of the chemical are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 76.37; (6)ACD/BCF (pH 7.4): 76.37; (7)ACD/KOC (pH 5.5): 775.19; (8)ACD/KOC (pH 7.4): 775.19; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.15Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 49.61 cm3; (15)Molar Volume: 141.8 cm3; (16)Polarizability: 19.66×10-24cm3; (17)Surface Tension: 68.8 dyne/cm; (18)Enthalpy of Vaporization: 57 kJ/mol; (19)Vapour Pressure: 0.000199 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(SC)nc(Cl)c1C=O
(2)InChI: InChI=1/C6H4Cl2N2OS/c1-12-6-9-4(7)3(2-11)5(8)10-6/h2H,1H3
(3)InChIKey: MRHGOAKYYORQGQ-UHFFFAOYAQ

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