Basic information
- Name:
Methanethiol, sodiumsalt (1:1)
- Superlist Name:
- Sodium thiomethoxide
- CAS No.:
5188-07-8
- Molecular Structure:
- Formula:
- CH3NaS
- Molecular Weight:
- 70.08
- Deleted CAS:
- 88905-59-3
- 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
- Appearance:
- very faint yellowish red clear liquid
- Hazard Symbols:
C,
F- Risk Codes:
- 31-34-20/21/22-11
- Safety Description:
- 26-36/37/39-45-16 Details
- Transport Information:
- UN 3263
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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