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Cas Database |
| Name |
Propanoic acid,3-(acetylthio)-, methyl ester |
EINECS | N/A |
| CAS No. | 6291-62-9 | Density | 1.141 g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H10O3S | Boiling Point | 220.1 °C at 760 mmHg |
| Molecular Weight | 162.21 | Flash Point | 93.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Propionicacid, 3-mercapto-, methyl ester, acetate (7CI,8CI);NSC 8520; |
Article Data | 5 |
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
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