Products Categories
CAS No.: | 13515-65-6 |
---|---|
Name: | 2-Methylpropanethioamide |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C4H9NS |
Molecular Weight: | 103.188 |
Synonyms: | Propionamide,2-methylthio- (6CI,7CI,8CI);2-Methylpropanethioamide;2-Methylthiopropionamide;Isobutyrthioamide;Thioisobutyramide; |
Density: | 0.995g/cm3 |
Melting Point: | 45-48℃ |
Boiling Point: | 147.4°C at 760mmHg |
Flash Point: | 42.9°C |
PSA: | 58.11000 |
LogP: | 1.62880 |
What can I do for you?
Get Best Price
The Systematic name about this chemical is 2-methylpropanethioamide. The cas register number of 2-Methylpropanethioamide is 13515-65-6. It also can be called as Propanethioamide, 2-methyl-. It is used as synthetic intermediate.
Physical properties about 2-Methylpropanethioamide are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 52; (8)ACD/KOC (pH 7.4): 52; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.11Å2; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 31.364 cm3; (15)Molar Volume: 103.605 cm3; (16)Surface Tension: 42.324 dyne/cm; (17)Density: 0.996 g/cm3; (18)Flash Point: 42.947 °C; (19)Enthalpy of Vaporization: 38.438 kJ/mol; (20)Boiling Point: 147.401 °C at 760 mmHg; (21)Vapour Pressure: 4.432 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: S=C(N)C(C)C
2.InChI: InChI=1/C4H9NS/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)
3.InChIKey: NPCLRBQYESMUPD-UHFFFAOYAQ
4.Std. InChI: InChI=1S/C4H9NS/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)