| Identification | |
| Name: | Propanethioicacid, S-methyl ester |
| Synonyms: | Propionicacid, thio-, S-methyl ester (6CI,7CI,8CI);S-Methyl thiopropionate; |
| CAS: | 5925-75-7 |
| Molecular Formula: | C4H8OS |
| Molecular Weight: | 104.17 |
| InChI: | InChI=1/C20H17N3OS/c24-20(21-16-10-9-14-5-1-2-6-15(14)11-16)13-25-12-19-22-17-7-3-4-8-18(17)23-19/h1-11H,12-13H2,(H,21,24)(H,22,23) |
| Molecular Structure: |  |
| Properties | |
| Density: | 0.985 g/cm3 |
| Refractive index: | 1.775 |
| Specification: |
The S-Methyl thiopropionate, with CAS registry number 5925-75-7, has the systematic name of S-methyl propanethioate. Besides this, it is also called propanethioic acid, S-methyl ester. And the chemical formula of this chemical is C4H8OS. Physical properties of S-Methyl thiopropionate: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 5.31; (6)ACD/BCF (pH 7.4): 5.31; (7)ACD/KOC (pH 5.5): 114.98; (8)ACD/KOC (pH 7.4): 114.98; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.37 Å2; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 28.6 cm3; (15)Molar Volume: 105.6 cm3; (16)Polarizability: 11.34×10-24cm3; (17)Surface Tension: 29.8 dyne/cm; (18)Enthalpy of Vaporization: 35.47 kJ/mol; (19)Vapour Pressure: 18.2 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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