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| CAS No.: | 5188-07-8 |
|---|---|
| Name: | Sodium thiomethoxide |
| Article Data: | 21 |
| Molecular Structure: | |
|
|
|
| Formula: | CH3NaS |
| Molecular Weight: | 71.0985 |
| Synonyms: | Methanethiol,sodium salt (8CI,9CI);Sodium, (methylthio)- (7CI);Methyl mercaptan sodiumsalt;Methylthiosodium;Sodium methanesulfenate;Sodium methanethiolate;Sodiummethyl mercaptan;Sodium methyl sulfide;Sodium methylmercaptide;Sodiummethylthiolate;Sodium thiomethoxide;Sodium thiomethylate; |
| EINECS: | 225-969-9 |
| Density: | 1.12[at 20℃] |
| Melting Point: | -123oC |
| Flash Point: | 27°C |
| Solubility: | soluble |
| Appearance: | very faint yellowish red clear liquid |
| Hazard Symbols: |
 C, F
|
| Risk Codes: | 31-34-20/21/22-11 |
| Safety: | 26-36/37/39-45-16 |
| Transport Information: | UN 3263 |
| PSA: | 0.00000 |
| LogP: | 0.16310 |
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methyl O-methyldithiocarbonate
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ethylamine
A
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N-ethyl O-methyl thiocarbamate
B
- 5188-07-8
sodium thiomethoxide
| Conditions | Yield |
|---|---|
| at 45 - 55℃; under 400 Torr; | A 98.9% B 94% |
| Conditions | Yield |
|---|---|
| With ammonia In water at 60℃; for 4h; | A 98.5% B 95% |
| Conditions | Yield |
|---|---|
| With sodium hydride In tetrahydrofuran for 72h; Ambient temperature; | A 51% B n/a |
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide; mineral oil | 50% |
| With sodium methylate In methanol | |
| With sodium hydride In methanol | |
| With methanol; sodium |
| Conditions | Yield |
|---|---|
| In mineral oil | 50% |
| Conditions | Yield |
|---|---|
| Faellung mit Aether; |
| Conditions | Yield |
|---|---|
| With sodium amalgam In tetrahydrofuran for 2h; | |
| With sodium Inert atmosphere; Glovebox; | |
| With sodium tetrahydroborate In N,N-dimethyl-formamide at 50℃; Inert atmosphere; | |
| With sodium |
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A
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B
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C
- 5188-07-8
sodium thiomethoxide
| Conditions | Yield |
|---|---|
| In ethanol |
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Specification
This chemical has the IUPAC name Sodium methanethiolate. With the CAS registry number 5188-07-8, it is also known as Sodium thiomethoxide. Its molecular formula is CH3NaS and product categories are Classes of Metal Compounds; Na (Sodium) Compounds (excluding simple sodium salts); Typical Metal Compounds. Moreover, it's used as raw materials for pesticides, pharmaceuticals intermediates. However, keep it sealed in the cool and dry place.
Other characteristics of the Sodium methanethiolate can be summarised as followings: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.72; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 2.06; (6)ACD/BCF (pH 7.4): 2.06; (7)ACD/KOC (pH 5.5): 58.46; (8)ACD/KOC (pH 7.4): 58.42; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.8 Å2; (13)Enthalpy of Vaporization: 23.79 kJ/mol ; (14)Vapour Pressure: 1900 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful to eyes, respiratory system and skin. It causes burns ,too. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: [Na+].[S-]C
2.InChI: InChI=1/CH4S.Na/c1-2;/h2H,1H3;/q;+1/p-1
3.InChIKey: RMBAVIFYHOYIFM-REWHXWOFAT