Ethanimidic acid,2-(methylthio)-, methyl ester supplier

Name
Methyl(methylthio)acetimidate
EINECS
CAS No. 83353-53-1
Density 1.086 g/cm³
Solubility
Melting Point
Formula C₄H₉NOS
Boiling Point 247.8 °C at 760 mmHg
Molecular Weight 119.188
Flash Point 103.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Methylsulfanyl)propanamide;
PSA 69.38000
LogP 1.37290

Ethanimidic acid,2-(methylthio)-, methyl ester Specification

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

Product Name

Methyl(methylthio)acetimidate

Ethanimidic acid,2-(methylthio)-, methyl ester Specification

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