Product Name

  • Name

    Sodium mercaptobenzothiazole

  • EINECS 219-660-8
  • CAS No. 2492-26-4
  • Article Data3
  • CAS DataBase
  • Density 1.25 g/cm3
  • Solubility >=10 g/100 mL at 20 °C in water
  • Melting Point -6 °C
  • Formula C7H5NNaS2
  • Boiling Point 281.3 °C at 760 mmHg
  • Molecular Weight 189.237
  • Flash Point 123.9 °C
  • Transport Information UN 1760
  • Appearance amber liquid with an odor of old rubber
  • Safety 26-36/37/39
  • Risk Codes 34
  • Molecular Structure Molecular Structure of 2492-26-4 (Sodium mercaptobenzothiazole)
  • Hazard Symbols Xn
  • Synonyms 2(3H)-Benzothiazolethione,sodium salt (8CI,9CI);Benzothiazole, 2-mercapto-, sodium deriv. (6CI);Sodium,(2-benzothiazolylthio)- (7CI);2-Benzothiazolethiol sodium salt;2-Mercaptobenzothiazole sodium salt;Duodex;Nacap;Sanbit N-G;Sodium2-benzothiazolethioate;Sodium 2-benzothiazolethiolate;Sodium2-mercaptobenzothiazolate;Sodium 2-mercaptobenzothiazole;Sodium MBT;Sodium mercaptobenzothiazole;
  • PSA 66.43000
  • LogP 2.85270

Synthetic route

2-Mercaptobenzothiazole
149-30-4

2-Mercaptobenzothiazole

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

Conditions
ConditionsYield
With sodium hydroxide In water at 14.99℃; Equilibrium constant; Temperature;
bromocyane
506-68-3

bromocyane

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

benzo[d]thiazol-2-yl thiocyanate
6011-99-0

benzo[d]thiazol-2-yl thiocyanate

Conditions
ConditionsYield
Ambient temperature;100%
With water
With ethanol
With ethanol
With water
sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

cyanogen chloride
506-77-4

cyanogen chloride

benzo[d]thiazol-2-yl thiocyanate
6011-99-0

benzo[d]thiazol-2-yl thiocyanate

Conditions
ConditionsYield
Ambient temperature;100%
With water
With ethanol
With ethanol
With water
benzyl bromide
100-39-0

benzyl bromide

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

2-benzylthiobenzothiazole
19654-17-2

2-benzylthiobenzothiazole

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃;99%
2-((4R,6S)-6-bromomethyl-2-oxo-1,3-dioxan-4-yl)acetic acid n-hexyl ester

2-((4R,6S)-6-bromomethyl-2-oxo-1,3-dioxan-4-yl)acetic acid n-hexyl ester

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

2-((4R,6S)-6-(benzo(d)thiazol-2-ylthio)methyl-2-oxo-1,3-dioxan-4-yl)acetic acid n-hexyl ester

2-((4R,6S)-6-(benzo(d)thiazol-2-ylthio)methyl-2-oxo-1,3-dioxan-4-yl)acetic acid n-hexyl ester

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 70℃; for 6h;98.5%
2-((4R,6S)-6-bromomethyl-2-oxo-1,3-dioxan-4-yl)acetic acid benzyl ester

2-((4R,6S)-6-bromomethyl-2-oxo-1,3-dioxan-4-yl)acetic acid benzyl ester

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

2-((4R,6S)-6-(benzo(d)thiazol-2-ylthio)methyl-2-oxo-1,3-dioxan-4-yl)acetic acid benzyl ester

2-((4R,6S)-6-(benzo(d)thiazol-2-ylthio)methyl-2-oxo-1,3-dioxan-4-yl)acetic acid benzyl ester

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 70℃; for 6h;98.3%
2-((4R,6S)-6-bromomethyl-2-oxo-1,3-dioxan-4-yl)acetic acid cyclohexyl ester

2-((4R,6S)-6-bromomethyl-2-oxo-1,3-dioxan-4-yl)acetic acid cyclohexyl ester

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

2-((4R,6S)-6-(benzo(d)thiazol-2-ylthio)methyl-2-oxo-1,3-dioxan-4-yl)acetic acid cyclohexyl ester

2-((4R,6S)-6-(benzo(d)thiazol-2-ylthio)methyl-2-oxo-1,3-dioxan-4-yl)acetic acid cyclohexyl ester

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 70℃; for 6h;98.2%
sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

di(benzothiazol-2-yl)disulfide
120-78-5

di(benzothiazol-2-yl)disulfide

Conditions
ConditionsYield
With bromonitromethane In methanol98%
With water; chlorine; ammonium chloride
With sulfuric acid; water; dihydrogen peroxide
2-((4R,6S)-6-bromomethyl-2-oxo-1,3-dioxane-4-yl)acetic acid tert-butyl ester

2-((4R,6S)-6-bromomethyl-2-oxo-1,3-dioxane-4-yl)acetic acid tert-butyl ester

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

2-((4R,6S)-6-(benzo(d)thiazol-2-ylthio)methyl-2-oxo-1,3-dioxan-4-yl)acetic acid tert-butyl ester

2-((4R,6S)-6-(benzo(d)thiazol-2-ylthio)methyl-2-oxo-1,3-dioxan-4-yl)acetic acid tert-butyl ester

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 70℃; for 6h; Solvent; Temperature;98%
3-bromo-1-(trimethylsilyl)-1-propyne
38002-45-8

3-bromo-1-(trimethylsilyl)-1-propyne

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

2-[3-(trimethylsilyl)prop-2-ynylthio]benzo[d]thiazole
504440-54-4

2-[3-(trimethylsilyl)prop-2-ynylthio]benzo[d]thiazole

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 5h;97%
In N,N-dimethyl-formamide at 20℃;97%
2-((4R,6S)-6-bromomethyl-2-oxo-1,3-dioxan-4-yl)acetic acid methyl ester

2-((4R,6S)-6-bromomethyl-2-oxo-1,3-dioxan-4-yl)acetic acid methyl ester

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

2-((4R,6S)-6-(benzo(d)thiazol-2-ylthio)methyl-2-oxo-1,3-dioxan-4-yl)acetic acid methyl ester

2-((4R,6S)-6-(benzo(d)thiazol-2-ylthio)methyl-2-oxo-1,3-dioxan-4-yl)acetic acid methyl ester

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 70℃; for 6h;97%
2-((4R,6S)-6-bromomethyl-2-oxo-1,3-dioxan-4-yl)acetic acid ethyl ester

2-((4R,6S)-6-bromomethyl-2-oxo-1,3-dioxan-4-yl)acetic acid ethyl ester

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

2-((4R,6S)-6-(benzo(d)thiazol-2-ylthio)methyl-2-oxo-1,3-dioxan-4-yl)acetic acid ethyl ester

2-((4R,6S)-6-(benzo(d)thiazol-2-ylthio)methyl-2-oxo-1,3-dioxan-4-yl)acetic acid ethyl ester

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 70℃; for 6h;97%
2-((4R,6S)-6-chloromethyl-2-oxo-1,3-dioxan-4-yl)acetic acid tert-butyl ester

2-((4R,6S)-6-chloromethyl-2-oxo-1,3-dioxan-4-yl)acetic acid tert-butyl ester

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

2-((4R,6S)-6-(benzo(d)thiazol-2-ylthio)methyl-2-oxo-1,3-dioxan-4-yl)acetic acid tert-butyl ester

2-((4R,6S)-6-(benzo(d)thiazol-2-ylthio)methyl-2-oxo-1,3-dioxan-4-yl)acetic acid tert-butyl ester

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 70℃; for 6h;96%
2-((4R,6S)-6-bromomethyl-2-oxo-1,3-dioxane-4-yl)acetic acid tert-butyl ester

2-((4R,6S)-6-bromomethyl-2-oxo-1,3-dioxane-4-yl)acetic acid tert-butyl ester

acetone
67-64-1

acetone

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

(4R,6S)-6-(benzothiazol-2-mercapto)methyl-2,2-dimethyl-1,3-dioxane-4-acetic acid tert-butyl ester
1353750-24-9

(4R,6S)-6-(benzothiazol-2-mercapto)methyl-2,2-dimethyl-1,3-dioxane-4-acetic acid tert-butyl ester

Conditions
ConditionsYield
Stage #1: 2-((4R,6S)-6-bromomethyl-2-oxo-1,3-dioxane-4-yl)acetic acid tert-butyl ester; acetone; sodium 2-mercaptobenzothiazole at 60℃; for 6h;
Stage #2: With toluene-4-sulfonic acid at 20℃; for 5h;		95.8%
...Expand
cyclohexylamine
108-91-8

cyclohexylamine

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

N-(cyclohexyl)benzothiazole-2-sulfenamide
95-33-0

N-(cyclohexyl)benzothiazole-2-sulfenamide

Conditions
ConditionsYield
Stage #1: cyclohexylamine; sodium 2-mercaptobenzothiazole With sulfuric acid; dihydrogen peroxide In water at 40 - 45℃; for 3 - 5h; Alkaline conditions;
Stage #2: With sodium hypochlorite In water for 0.166667 - 0.633333h;		95.2%
With sulfuric acid; dihydrogen peroxide In water at 50℃; for 2h; Conversion of starting material;84%
With alkaline aqueous solution; chloro-air mixture
sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

[4R,6R,6(1R)]-4-allyl-6-[1-methyl-2-(methanesulfonyl)ethyl]-4H-pyran-2-one
237735-32-9

[4R,6R,6(1R)]-4-allyl-6-[1-methyl-2-(methanesulfonyl)ethyl]-4H-pyran-2-one

(4R,6R)-4-Allyl-6-[(S)-2-(benzothiazol-2-ylsulfanyl)-1-methyl-ethyl]-tetrahydro-pyran-2-one
237735-47-6

(4R,6R)-4-Allyl-6-[(S)-2-(benzothiazol-2-ylsulfanyl)-1-methyl-ethyl]-tetrahydro-pyran-2-one

Conditions
ConditionsYield
94%
2-thenyl bromide
45438-73-1

2-thenyl bromide

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

2-((thiophen-2-ylmethyl)thio)benzo[d]thiazole
189579-62-2

2-((thiophen-2-ylmethyl)thio)benzo[d]thiazole

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃;94%
N-(p-Toluensulfonyl)iminothiokohlensaeuremethylester-chlorid
2973-83-3

N-(p-Toluensulfonyl)iminothiokohlensaeuremethylester-chlorid

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

N-[1-(Benzothiazol-2-ylsulfanyl)-1-methylsulfanyl-meth-(E)-ylidene]-4-methyl-benzenesulfonamide
93488-25-6

N-[1-(Benzothiazol-2-ylsulfanyl)-1-methylsulfanyl-meth-(E)-ylidene]-4-methyl-benzenesulfonamide

Conditions
ConditionsYield
In benzene for 4h; Heating;92%
1-bromomethyl-4-nitro-benzene
100-11-8

1-bromomethyl-4-nitro-benzene

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

2-((4-nitrobenzyl)thio)benzo[d]thiazole
92905-87-8

2-((4-nitrobenzyl)thio)benzo[d]thiazole

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃;91%
9-bromomethylphenantrene
24471-57-6

9-bromomethylphenantrene

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

2-[(phenanthren-9-ylmethyl)thio]benzo[d]thiazole

2-[(phenanthren-9-ylmethyl)thio]benzo[d]thiazole

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 6h;91%
sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

Methanesulfonic acid (R)-2-((2R,4R)-4-allyl-6-methoxy-tetrahydro-pyran-2-yl)-propyl ester

Methanesulfonic acid (R)-2-((2R,4R)-4-allyl-6-methoxy-tetrahydro-pyran-2-yl)-propyl ester

2-[(S)-2-((2R,4R)-4-Allyl-6-methoxy-tetrahydro-pyran-2-yl)-propylsulfanyl]-benzothiazole
544429-69-8

2-[(S)-2-((2R,4R)-4-Allyl-6-methoxy-tetrahydro-pyran-2-yl)-propylsulfanyl]-benzothiazole

Conditions
ConditionsYield
90%
2-bromo-2-nitropropane
5447-97-2

2-bromo-2-nitropropane

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

1,3-benzothiazol-2-yl 1-methyl-1-nitroethyl sulphide
75376-74-8

1,3-benzothiazol-2-yl 1-methyl-1-nitroethyl sulphide

Conditions
ConditionsYield
In N,N-dimethyl-formamide Irradiation;89%
In N,N-dimethyl-formamide for 1h; Irradiation;89%
sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

cyanomethyl bromide
590-17-0

cyanomethyl bromide

(1,3-benzothiazol-2-ylsulfanyl)acetonitrile
24793-01-9

(1,3-benzothiazol-2-ylsulfanyl)acetonitrile

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 3h;89%
4,5-dibromo-2-furfurylidenemalononitrile
93362-26-6

4,5-dibromo-2-furfurylidenemalononitrile

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

2-[5-(Benzothiazol-2-ylsulfanyl)-4-bromo-furan-2-ylmethylene]-malononitrile
93362-35-7

2-[5-(Benzothiazol-2-ylsulfanyl)-4-bromo-furan-2-ylmethylene]-malononitrile

Conditions
ConditionsYield
3-6h on a steam bath;88.6%
ethyl bromofluoroacetate
401-55-8

ethyl bromofluoroacetate

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

ethyl 2-(benzothiazol-2-ylsulfanyl)-2-fluoroacetate

ethyl 2-(benzothiazol-2-ylsulfanyl)-2-fluoroacetate

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 1h;88%
In N,N-dimethyl-formamide at 20℃; for 1h;82%
In N,N-dimethyl-formamide at 40℃; for 1.5h;
4,5-dibromo-2-furfurylidenecyanoacetate
93362-27-7

4,5-dibromo-2-furfurylidenecyanoacetate

sodium 2-mercaptobenzothiazole
2492-26-4

sodium 2-mercaptobenzothiazole

(E)-3-[5-(Benzothiazol-2-ylsulfanyl)-4-bromo-furan-2-yl]-2-cyano-acrylic acid methyl ester
93362-30-2

(E)-3-[5-(Benzothiazol-2-ylsulfanyl)-4-bromo-furan-2-yl]-2-cyano-acrylic acid methyl ester

Conditions
ConditionsYield
3-6h on a steam bath;87.5%

Sodium mercaptobenzothiazole Consensus Reports

Reported in EPA TSCA Inventory.

Sodium mercaptobenzothiazole Specification

The Sodium mercaptobenzothiazole,with the CAS registry number 2492-26-4 and EINECS 219-660-8, it is also named as 2(3H)-Benzothiazolethione sodium salt. The product's categories are Classes of Metal Compounds; Na (Sodium) Compounds (excluding simple sodium salts); Typical Metal Compounds. It is amber liquid with an odor of old rubber which reacts vigorously with oxidizing materials (e.g. hydroperoxides). It liberates heat in contact with strong mineral acids or acid fumes. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of Sodium mercaptobenzothiazole can be summarized as: 
(1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.01; (4)ACD/LogD (pH 7.4): -0.09; (5)ACD/BCF (pH 5.5): 1.58; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.26; (8)ACD/KOC (pH 7.4): 1.53; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 79.93 Å2; (13)Flash Point: 123.9 °C; (14)Enthalpy of Vaporization: 49.92 kJ/mol; (15)Boiling Point: 281.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00611 mmHg at 25°C; (17)Tautomer Count: 2; (18)Exact Mass: 189.97611; (19)MonoIsotopic Mass: 189.97611; (20)Topological Polar Surface Area: 69.4; (21)Heavy Atom Count: 11; (22)Complexity: 158.

Uses of Sodium mercaptobenzothiazole:
It is used as promote agent of dithiocarbamate in natural rubber. The solution with water or alcohol can be used as corrosion inhibitor for steel, copper and aluminum products.

Safety Information of Sodium mercaptobenzothiazole:
When you are using this chemical, please be cautious about it as the following.It can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure. 
1. SMILES:[Na+].[S-]c1nc2ccccc2s1
2. InChI:InChI=1/C7H5NS2.Na/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);/q;+1/p-1 
3. InChIKey:VLDHWMAJBNWALQ-REWHXWOFAL

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