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
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View