Propanoic acid,3-(acetylthio)-, methyl ester supplier

Name
methyl 3-(acetylsulfanyl)propanoate
EINECS
CAS No. 6291-62-9
Article Data5
CAS DataBase
Density 1.141 g/cm³
Solubility
Melting Point
Formula C₆H₁₀O₃S
Boiling Point 220.1 °C at 760 mmHg
Molecular Weight 162.21
Flash Point 93.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propionicacid, 3-mercapto-, methyl ester, acetate (7CI,8CI);NSC 8520;
PSA
LogP

Propanoic acid,3-(acetylthio)-, methyl ester Specification

The CAS registry number of Propanoic acid,3-(acetylthio)-, methyl ester is 6291-62-9. This chemical is also named as NSC8520. In addition, its molecular formula is C₆H₁₀O₃S and molecular weight is 162.2068. Its IUPAC name is called methyl 3-acetylsulfanylpropanoate.

Physical properties about Propanoic acid,3-(acetylthio)-, methyl ester are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Index of Refraction: 1.469; (7)Molar Refractivity: 39.64 cm³; (8)Molar Volume: 142.1 cm³; (9)Surface Tension: 37.3 dyne/cm; (10)Density: 1.141 g/cm³; (11)Flash Point: 93.9 °C; (12)Enthalpy of Vaporization: 45.65 kJ/mol; (13)Boiling Point: 220.1 °C at 760 mmHg; (14)Vapour Pressure: 0.115 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(SCCC(=O)OC)C
(2)InChI: InChI=1/C6H10O3S/c1-5(7)10-4-3-6(8)9-2/h3-4H2,1-2H3
(3)InChIKey: RUXHQWGGLGBRJS-UHFFFAOYAQ

Product Name

methyl 3-(acetylsulfanyl)propanoate

Propanoic acid,3-(acetylthio)-, methyl ester Specification

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