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| CAS No.: | 1950-85-2 |
|---|---|
| Name: | sodium methanethiosulphonate |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | CH3NaO2S2 |
| Molecular Weight: | 134.155 |
| Synonyms: | Methanesulfonicacid, thio-, sodium salt (7CI,8CI);Methanesulfonothioic acid, sodium salt(9CI);Sodium methanethiosulfonate; |
| EINECS: | 217-770-0 |
| Melting Point: | 272-273.5 °C |
| Boiling Point: | 233.3 °C at 760 mmHg |
| Flash Point: | 94.9 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 67.82000 |
| LogP: | 1.22430 |
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Specification
The Methanesulfonothioicacid, sodium salt (1:1), with the CAS registry number 1950-85-2, is also known as Sodium methanethiosulfonate. It belongs to the product categories of Small molecule; MTS and Sulfhydryl Active Reagents; MTS & Sulfhydryl Active Reagents. Its EINECS registry number is 217-770-0. This chemical's molecular formula is CH3NaO2S2 and molecular weight is 147.13. What's more, its IUPAC is called Sodium methyl-oxido-oxo-sulfanylidene-λ6-sulfane.
Physical properties about Methanesulfonothioicacid, sodium salt (1:1): (1)ACD/LogP: -0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.32; (4)ACD/LogD (pH 7.4): -3.36; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 77.77 Å2; (13)Flash Point: 94.9 °C; (14)Enthalpy of Vaporization: 51.77 kJ/mol; (15)Boiling Point: 233.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0196 mmHg at 25 °C; (17)Melting point: 272-273.5 °C.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[O-]S(=O)(=S)C
(2) InChI: InChI=1/CH4O2S2.Na/c1-5(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1
(3) InChIKey: JFTZUZWJGUCSTE-REWHXWOFAO