Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
S-Methyl thiopropionate |
EINECS | N/A |
CAS No. | 5925-75-7 | Density | 0.985 g/cm3 |
PSA | 42.37000 | LogP | 1.28600 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H8OS | Boiling Point | 116.4 °C at 760 mmHg |
Molecular Weight | 104.173 | Flash Point | 22 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Propionicacid, thio-, S-methyl ester (6CI,7CI,8CI);S-Methyl thiopropionate; |
Article Data | 9 |
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:
(1)SMILES: O=C(SC)CC
(2)InChI: InChI=1/C4H8OS/c1-3-4(5)6-2/h3H2,1-2H3
(3)InChIKey: AIILTVHCLAEMDA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C4H8OS/c1-3-4(5)6-2/h3H2,1-2H3
(5)Std. InChIKey: AIILTVHCLAEMDA-UHFFFAOYSA-N