2-AMINO-6-METHYLMERCAPTOPURINE

The 6-Methylthioguanine, with the CAS registry number of 1198-47-6, is also known as 2-Amino-6-methylthiopurine. Its EINECS registry number is 214-833-4. This chemical's molecular formula is C₆H₇N₅S and molecular weight is 181.22. What's more, its IUPAC name is 6-Methylsulfanyl-7H-purin-2-amine. In addition, it must be stored in airtight containers and placed in a dry, cool, ventilated place. Meanwhile, it should be avoided contact with strong oxidant and other incompatible materials.

Physical properties about 6-Methylthioguanine are: (1)ACD/LogP: -0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.07; (4)ACD/LogD (pH 7.4): -0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.28; (8)ACD/KOC (pH 7.4): 22.62; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 72.14 Å²; (13)Index of Refraction: 1.761; (14)Molar Refractivity: 47.88 cm³; (15)Molar Volume: 116.2 cm³; (16)Surface Tension: 110.6 dyne/cm; (17)Density: 1.55 g/cm³; (18)Flash Point: 330 °C; (19)Enthalpy of Vaporization: 92.17 kJ/mol; (20)Boiling Point: 622.1 °C at 760 mmHg; (21)Vapour Pressure: 2.13E-15 mmHg at 25 °C.

Uses of 6-Methylthioguanine: it is used to produce other chemicals. For example, it is used to produce 9-(4-Acetoxy-3-acetoxymethylbutyl)-2-amino-6-methylthiopurine at ambient temperature. The reaction needs reagent K₂CO₃ and solvent Dimethylformamide. The reaction time is 18 hours. The yield is about 64 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to respiratory system and skin. And it has the risk of serious damage to eyes. In addition, this chemical is harmful if swallowed. During using it, wear eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c(SC)c2c(nc1N)ncn2
(2) InChI: InChI=1/C6H7N5S/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)
(3) InChIKey: YEGKYFQLKYGHAR-UHFFFAOYAJ