The 6-Methoxy-2-pyrazinecarbothioamide, with the CAS registry number 68450-42-0, is also known as Pyrazinecarbothioamide, 6-methoxy- (9CI). Its systematic name is 6-Methoxypyrazine-2-carbothioamide. This chemical's molecular formula is C6H7N3OS and molecular weight is 169.20. What's more, it belongs to the product category of Thioamide.
Physical properties of 6-Methoxy-2-pyrazinecarbothioamide are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.18; (5)ACD/BCF (pH 5.5): 26.89; (6)ACD/BCF (pH 7.4): 26.88; (7)ACD/KOC (pH 5.5): 367.21; (8)ACD/KOC (pH 7.4): 367.08; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 70.34 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 45.3 cm3; (15)Molar Volume: 126.4 cm3; (16)Polarizability: 17.95×10-24 cm3; (17)Surface Tension: 71.8 dyne/cm; (18)Density: 1.338 g/cm3; (19)Flash Point: 144 °C; (20)Enthalpy of Vaporization: 55.56 kJ/mol; (21)Boiling Point: 314.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000466 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C(c1nc(OC)cnc1)N
(2)InChI: InChI=1S/C6H7N3OS/c1-10-5-3-8-2-4(9-5)6(7)11/h2-3H,1H3,(H2,7,11)
(3)InChIKey: HETPLKRGKLWGFL-UHFFFAOYSA-N
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