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Sodium thiomethoxide

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Name

Sodium thiomethoxide

EINECS 225-969-9
CAS No. 5188-07-8 Density 1.12[at 20℃]
PSA 0.00000 LogP 0.16310
Solubility soluble Melting Point -123oC
Formula CH3NaS Boiling Point N/A
Molecular Weight 71.0985 Flash Point 27°C
Transport Information UN 3263 Appearance very faint yellowish red clear liquid
Safety 26-36/37/39-45-16 Risk Codes 31-34-20/21/22-11
Molecular Structure Molecular Structure of 5188-07-8 (Sodium thiomethoxide) Hazard Symbols CorrosiveC,FlammableF
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;

Article Data 21

Sodium thiomethoxide Synthetic route

19708-81-7

methyl O-methyldithiocarbonate

75-04-7

ethylamine

A

65351-53-3

N-ethyl O-methyl thiocarbamate

B

5188-07-8

sodium thiomethoxide

Conditions
ConditionsYield
at 45 - 55℃; under 400 Torr;A 98.9%
B 94%
39076-43-2

S-methyl N-ethylthiocarbamate

A

625-52-5

N-Ethylurea

B

5188-07-8

sodium thiomethoxide

Conditions
ConditionsYield
With ammonia In water at 60℃; for 4h;A 98.5%
B 95%
624-92-0

Dimethyldisulphide

542-92-7

cyclopenta-1,3-diene

A

sodium 1,2,3,4,5-pentakis(methylmercapto)cyclopentadienide

B

5188-07-8

sodium thiomethoxide

Conditions
ConditionsYield
With sodium hydride In tetrahydrofuran for 72h; Ambient temperature;A 51%
B n/a
74-93-1

methylthiol

5188-07-8

sodium thiomethoxide

Conditions
ConditionsYield
In N,N-dimethyl-formamide; mineral oil50%
With sodium methylate In methanol
With sodium hydride In methanol
With methanol; sodium
74-93-1

methylthiol

127-19-5

N,N-dimethyl acetamide

5188-07-8

sodium thiomethoxide

Conditions
ConditionsYield
In mineral oil50%
74-93-1

methylthiol

141-52-6

sodium ethanolate

5188-07-8

sodium thiomethoxide

Conditions
ConditionsYield
Faellung mit Aether;
624-92-0

Dimethyldisulphide

5188-07-8

sodium thiomethoxide

Conditions
ConditionsYield
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
60-29-7

diethyl ether

624-92-0

Dimethyldisulphide

sodium

sodium

5188-07-8

sodium thiomethoxide

64-17-5

ethanol

3735-92-0

N,N,S-trimethyldithiocarbamate

sodium

sodium

A

51-80-9

bis-(dimethylamino)methane

B

75-50-3

trimethylamine

C

5188-07-8

sodium thiomethoxide

D

Na2S

Na2S

74-93-1

methylthiol

7440-23-5

sodium

5188-07-8

sodium thiomethoxide

Conditions
ConditionsYield
In ethanol

Sodium thiomethoxide 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

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