6H-Purine-6-thione,1,9-dihydro-9-methyl- supplier

Name
9-METHYL-6-THIOPURINE
EINECS
CAS No. 1006-20-8
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
Hazard Symbols
Synonyms NSC 7841;9H-Purine-6(1H)-thione,9-methyl- (7CI,8CI);9H-Purine-6-thiol, 9-methyl- (6CI);6-Mercapto-9-methylpurine;9-Methyl-6-thiopurine;
PSA 82.40000
LogP 0.65200

6H-Purine-6-thione,1,9-dihydro-9-methyl- Specification

The CAS registry number of 6H-Purine-6-thione,1,9-dihydro-9-methyl- is 1006-20-8. This chemical is also named as 9-Methyl-3,9-dihydro-6H-purine-6-thione. In addition, its molecular formula is C₆H₆N₄S and molecular weight is 166.2. Its IUPAC name is called 9-methyl-3H-purine-6-thione.

Physical properties about 6H-Purine-6-thione,1,9-dihydro-9-methyl- are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/LogD (pH 7.4): 0.53; (5)ACD/BCF (pH 5.5): 1.46; (6)ACD/BCF (pH 7.4): 1.49; (7)ACD/KOC (pH 5.5): 45.4; (8)ACD/KOC (pH 7.4): 46.21; (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\Nc1n(cnc12)C
(2)InChI: InChI=1/C6H6N4S/c1-10-3-9-4-5(10)7-2-8-6(4)11/h2-3H,1H3,(H,7,8,11)
(3)InChIKey: HDAZBCXPLJHIIY-UHFFFAOYAM

Product Name

9-METHYL-6-THIOPURINE

6H-Purine-6-thione,1,9-dihydro-9-methyl- Specification

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