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Sodium thiophenolate

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Name

Sodium thiophenolate

EINECS 213-224-0
CAS No. 930-69-8 Density 1.079g/cm3
PSA 25.30000 LogP 2.24300
Solubility N/A Melting Point >300 °C
Formula C6H6S.Na Boiling Point 169.1°C at 760mmHg
Molecular Weight 132.161 Flash Point 50.6°C
Transport Information UN 1759 Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 930-69-8 (SODIUM THIOPHENOXIDE) Hazard Symbols CorrosiveC
Synonyms

Benzenethiol,sodium deriv. (6CI);Benzenethiol, sodium salt (8CI,9CI);Sodium, (phenylthio)-(7CI);Sodium benzenethiolate;Sodium phenylmercaptide;Sodium phenylsulfide;Sodium phenylthiolate;Sodium thiophenate;Sodium thiophenolate;Sodiumthiophenoxide;Sodium thiophenylate;Thiophenol sodium salt;Thiophenyl sodiumsalt;

Article Data 48

Sodium thiophenolate Synthetic route

108-98-5

thiophenol

930-69-8

sodium thiophenolate

Conditions
ConditionsYield
With sodium methylate In methanol at 45℃;97%
With sodium hydride In tetrahydrofuran; diethyl ether for 1.75h;93%
With sodium In diethyl ether90%
934-87-2

S-phenyl thioacetate

930-69-8

sodium thiophenolate

Conditions
ConditionsYield
With sodium thiomethoxide In methanol at 23℃; for 0.5h;81%
3019-20-3

isopropylthiobenzene

930-69-8

sodium thiophenolate

Conditions
ConditionsYield
With sodium In N,N,N,N,N,N-hexamethylphosphoric triamide at 90℃;
108-98-5

thiophenol

A

930-69-8

sodium thiophenolate

B

882-33-7

diphenyldisulfane

Conditions
ConditionsYield
With sodium hydroxide

sodium fluorenone ketyl

882-33-7

diphenyldisulfane

A

486-25-9

9-fluorenone

B

930-69-8

sodium thiophenolate

Conditions
ConditionsYield
In tetrahydrofuran at 23℃; Rate constant;

C22H12(1-)*Na(1+)

882-33-7

diphenyldisulfane

A

191-24-2

Benzo[ghi]perylene

B

930-69-8

sodium thiophenolate

Conditions
ConditionsYield
In tetrahydrofuran at 23℃; Rate constant;

C13H8O3S(1-)*Na(1+)

882-33-7

diphenyldisulfane

A

930-69-8

sodium thiophenolate

B

3166-15-2

thioxanthen-9-one 10,10-dioxide

Conditions
ConditionsYield
In tetrahydrofuran at 22.4 - 33.5℃; Rate constant; Thermodynamic data; Ea, ΔG*, ΔS*;

perylene radical anion; sodium salt

882-33-7

diphenyldisulfane

A

198-55-0

PERYLENE

B

930-69-8

sodium thiophenolate

Conditions
ConditionsYield
In tetrahydrofuran at 23℃; Rate constant;
882-33-7

diphenyldisulfane

930-69-8

sodium thiophenolate

Conditions
ConditionsYield
With sodium tetrahydroborate In ethanol for 0.5h; Heating;
With sodium In ammonia
With sodium tetrahydroborate In ethanol
With sodium tetrahydroborate In ethanol Inert atmosphere;
5510-78-1

diphenylthiophosphinic acid-S-phenyl ester

A

930-69-8

sodium thiophenolate

B

22214-04-6

sodium diphenylphosphinate

Conditions
ConditionsYield
With sodium hydroxide In water; acetonitrile at 25℃; Rate constant; effect of H2O-MeCN proportion; further base and solvent;

Sodium thiophenolate Specification

The cas register number of Sodium thiophenolate is 930-69-8. It also can be called as Benzenethiol, sodium salt and the Systematic name about this chemical is sodium benzenethiolate.

Physical properties about Sodium thiophenolate are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.49; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 44.97; (6)ACD/BCF (pH 7.4): 6.83; (7)ACD/KOC (pH 5.5): 519.58; (8)ACD/KOC (pH 7.4): 78.9; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.8Å2; (13)Flash Point: 50.6 °C; (14)Enthalpy of Vaporization: 39.93 kJ/mol; (15)Boiling Point: 169.1 °C at 760 mmHg; (16)Vapour Pressure: 2.07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It can causes burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. So people must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1.SMILES: [Na+].[S-]c1ccccc1
2.InChI: InChI=1/C6H6S.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1 
3.InChIKey: RZWQDAUIUBVCDD-REWHXWOFAQ
4.Std. InChI: InChI=1S/C6H6S.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1.

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