N-(METHYL)MERCAPTOACETAMIDE

The Acetamide, 2-mercapto-N-methyl-, with the CAS registry number 20938-74-3, is also known as N-(Methyl)mercaptoacetamide. This chemical's molecular formula is C₃H₇NOS and molecular weight is 105.16. What's more, its systematic name is N-Methyl-2-sulfanylacetamide and it is harmful if swallowed.

Physical properties of Acetamide, 2-mercapto-N-methyl- are: (1)ACD/LogP: -0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.58; (4)ACD/LogD (pH 7.4): -0.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.55; (8)ACD/KOC (pH 7.4): 9.2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.61 Å²; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 27.46 cm³; (15)Molar Volume: 98 cm³; (16)Polarizability: 10.88×10^-24 cm³; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 1.072 g/cm³; (19)Flash Point: 122.6 °C; (20)Enthalpy of Vaporization: 51.77 kJ/mol; (21)Boiling Point: 279 °C at 760 mmHg; (22)Vapour Pressure: 0.00411 mmHg at 25°C.

Preparation: this chemical can be prepared by mercaptoacetic acid methyl ester and methylamine at the ambient temperature. This reaction will need solvent H₂O and the yield is about 67%.

Uses of Acetamide, 2-mercapto-N-methyl-: it can be used to produce 2-Methoxy-3-methyl-4-oxo-1,3,2-thiazaphospholidine at the temperature of 20 °C. It will need reagent pyridine and solvent benzene with the reaction time of 12 hours. The yield is about 63%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC)CS
(2)InChI: InChI=1S/C3H7NOS/c1-4-3(5)2-6/h6H,2H2,1H3,(H,4,5)
(3)InChIKey: NSJNRJYQQPRCLF-UHFFFAOYSA-N