4(3H)-Pyrimidinethione,5,6-diamino- (2846-89-1)

The 4,5-Diamino-6-mercaptopyrimidine with the cas number 2846-89-1, is also called 4-pyrimidinethiol, 5,6-diamino-. The systematic name is 5,6-diaminopyrimidine-4(1H)-thione. Its molecular formula is C₄H₆N₄S. Its EINECS is 220-644-8. This chemical is a kind of organics.

The properties of the chemical are: (1)ACD/LogP: -2.15; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.54; (6)ACD/KOC (pH 7.4): 1.47; (7)#H bond acceptors: 4; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 54.17 Å²; (11)Index of Refraction: 1.85; (12)Molar Refractivity: 35.68 cm³; (13)Molar Volume: 79.8 cm³; (14)Polarizability: 14.14×10^-24cm³; (15)Surface Tension: 77.1 dyne/cm; (16)Enthalpy of Vaporization: 46.59 kJ/mol; (17)Vapour Pressure: 0.07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C1/N=C\NC(\N)=C1\N
(2)InChI: InChI=1/C4H6N4S/c5-2-3(6)7-1-8-4(2)9/h1H,5H2,(H3,6,7,8,9)