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The 3-Amino-1-methyl-5-thiol-1, 2, 4-triazole, with the CAS registry number 37634-01-8, is also known as 3-Amino-1-methyl-1H-1, 2, 4-triazole-5-thiol. This chemical's molecular formula is C3H6N4S and molecular weight is 130.17154. What's more, its systematic name is 5-Amino-2-methyl-1, 2, 4-triazole-3-thiol.
Physical properties about 3-Amino-1-methyl-5-thiol-1, 2, 4-triazole are: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 95.53 Å2; (7)Index of Refraction: 1.803; (8)Molar Refractivity: 32.93 cm3; (9)Molar Volume: 76.7 cm3; (10)Polarizability: 13.05×10-24 cm3; (11)Surface Tension: 64.3 dyne/cm; (12)Density: 1.69 g/cm3; (13)Flash Point: 157 °C; (14)Enthalpy of Vaporization: 57.9 kJ/mol; (15)Boiling Point: 335.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000116 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cn1c(nc(n1)N)S
(2) InChI: InChI=1/C3H6N4S/c1-7-3(8)5-2(4)6-7/h1H3,(H3,4,5,6,8)
(3) InChIKey: VHROJGUDAHQRLS-UHFFFAOYAB