Product Name

  • Name

    7-METHYL-6-MERCAPTOPURINE

  • EINECS
  • CAS No. 3324-79-6
  • Article Data8
  • CAS DataBase
  • Density 1.58 g/cm3
  • Solubility
  • Melting Point
  • Formula C6H6N4S
  • Boiling Point 433.8 °C at 760 mmHg
  • Molecular Weight 166.2036
  • Flash Point 216.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 3324-79-6 (7-METHYL-6-MERCAPTOPURINE)
  • Hazard Symbols
  • Synonyms Purine-6(1H)-thione,7-methyl- (7CI,8CI);Purine-6-thiol, 7-methyl- (6CI);6-Mercapto-7-methylpurine;7-Methyl-6-mercaptopurine;7-Methyl-6-thiopurine;7-Methylpurine-6-thiol;7-Methylpurine-6-thione;NSC 17112;
  • PSA 82.40000
  • LogP 0.65200

6H-Purine-6-thione,1,7-dihydro-7-methyl- Specification

The CAS registry number of 6H-Purine-6-thione,1,7-dihydro-7-methyl- is 3324-79-6. This chemical is also named as 7-Methyl-3,7-dihydro-6H-purine-6-thione. In addition, its molecular formula is C6H6N4S and molecular weight is 166.2. Its IUPAC name is called 7-methyl-3H-purine-6-thione.

Physical properties about 6H-Purine-6-thione,1,7-dihydro-7-methyl- are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.53; (4)ACD/LogD (pH 7.4): 0.53; (5)ACD/BCF (pH 5.5): 1.48; (6)ACD/BCF (pH 7.4): 1.49; (7)ACD/KOC (pH 5.5): 46.11; (8)ACD/KOC (pH 7.4): 46.22; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.814; (13)Molar Refractivity: 45.35 cm3; (14)Molar Volume: 104.7 cm3; (15)Surface Tension: 59.6 dyne/cm; (16)Density: 1.58 g/cm3; (17)Flash Point: 216.2 °C; (18)Enthalpy of Vaporization: 68.99 kJ/mol; (19)Boiling Point: 433.8 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C2/N=C\Nc1ncn(c12)C
(2)InChI: InChI=1/C6H6N4S/c1-10-3-9-5-4(10)6(11)8-2-7-5/h2-3H,1H3,(H,7,8,11)
(3)InChIKey: FBGNWVFKAYFTRV-UHFFFAOYAQ

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