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The CAS registry number of Ethanimidic acid,2-(methylthio)-, methyl ester is 83353-53-1. This chemical is also named as Methyl(methylthio)acetimidate. In addition, its molecular formula is C4H9NOS and molecular weight is 119.1854. Its systematic name and IUPAC name are the same which is called 2-(methylsulfanyl)propanamide.
Physical properties about Ethanimidic acid,2-(methylthio)-, methyl ester are: (1)ACD/LogP: -0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.13; (4)ACD/LogD (pH 7.4): -0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.13; (8)ACD/KOC (pH 7.4): 20.13; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.496; (13)Molar Refractivity: 32.1 cm3; (14)Molar Volume: 109.7 cm3; (15)Flash Point: 103.7 °C; (16)Density: 1.086 g/cm3; (17)Enthalpy of Vaporization: 48.5 kJ/mol; (18)Boiling Point: 247.8 °C at 760 mmHg; (19)Vapour Pressure: 0.0251 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)C(SC)C
(2)InChI: InChI=1/C4H9NOS/c1-3(7-2)4(5)6/h3H,1-2H3,(H2,5,6)
(3)InChIKey: PBQKWXUCMGTHNU-UHFFFAOYAF