CAS No.13515-65-6,2-Methylpropanethioamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13515-65-6
Name:	2-Methylpropanethioamide
Article Data:	1

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

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Specification

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)