Products Categories
CAS No.: | 6305-99-3 |
---|---|
Name: | 4,5-Diamino-6-methyl-2-thiopyrimidine |
Molecular Structure: | |
Formula: | C5H8N4S |
Molecular Weight: | 156.2088 |
Synonyms: | 4,5-Diamino-6-methylpyrimidine-2(1H)-thione; |
Density: | 1.64 g/cm3 |
Boiling Point: | 291.8 °C at 760 mmHg |
Flash Point: | 130.3 °C |
PSA: | 116.62000 |
LogP: | 1.40050 |
What can I do for you?
Get Best Price
The 4,5-Diamino-6-methyl-1H-pyrimidine-2-thione, with the CAS registry number 6305-99-3, is also known as 4,5-Diamino-6-methylpyrimidine-2(1H)-thione. This chemical's molecular formula is C5H8N4S and molecular weight is 156.2088. What's more, its IUPAC name is 4,5-Diamino-6-methyl-1H-pyrimidine-2-thione.
Physical properties about 4,5-Diamino-6-methyl-1H-pyrimidine-2-thione: (1)ACD/LogP: -0.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.76; (4)ACD/LogD (pH 7.4): -0.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.15; (8)ACD/KOC (pH 7.4): 9.2; (9)#H bond acceptors: 4; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.17 Å2; (13)Index of Refraction: 1.785; (14)Molar Refractivity: 40.11 cm3; (15)Molar Volume: 95.1 cm3; (16)Surface Tension: 62.6 dyne/cm; (17)Density: 1.64 g/cm3; (18)Flash Point: 130.3 °C; (19)Enthalpy of Vaporization: 53.13 kJ/mol; (20)Boiling Point: 291.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0019 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: S=C1/N=C(\C(\N)=C(/N1)C)N
(2) InChI: InChI=1/C5H8N4S/c1-2-3(6)4(7)9-5(10)8-2/h6H2,1H3,(H3,7,8,9,10)
(3) InChIKey: BGLOHALSDHKLSH-UHFFFAOYAN