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2492-26-4

Basic Information
CAS No.: 2492-26-4
Name: Sodium mercaptobenzothiazole
Article Data: 3
Molecular Structure:
Molecular Structure of 2492-26-4 (Sodium mercaptobenzothiazole)
Formula: C7H5NNaS2
Molecular Weight: 189.237
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;
EINECS: 219-660-8
Density: 1.25 g/cm3
Melting Point: -6 °C
Boiling Point: 281.3 °C at 760 mmHg
Flash Point: 123.9 °C
Solubility: >=10 g/100 mL at 20 °C in water
Appearance: amber liquid with an odor of old rubber
Hazard Symbols: Xn
Risk Codes: 34
Safety: 26-36/37/39
Transport Information: UN 1760
PSA: 66.43000
LogP: 2.85270
Synthetic route
149-30-4

2-Mercaptobenzothiazole

2492-26-4

sodium 2-mercaptobenzothiazole

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

bromocyane

2492-26-4

sodium 2-mercaptobenzothiazole

6011-99-0

benzo[d]thiazol-2-yl thiocyanate

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

sodium 2-mercaptobenzothiazole

506-77-4

cyanogen chloride

6011-99-0

benzo[d]thiazol-2-yl thiocyanate

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

benzyl bromide

2492-26-4

sodium 2-mercaptobenzothiazole

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

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

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

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

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

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

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

sodium 2-mercaptobenzothiazole

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

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

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 70℃; for 6h; Solvent; Temperature;98%
38002-45-8

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

2492-26-4

sodium 2-mercaptobenzothiazole

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%
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    CAS No. 2492-26-4 Molecular formula: C7H4NNaS2 Molecular Weight: 189.22 Molecular Structure: Specification: Items Index Appearance Yellow transparent liquid Solid content

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  • Sodium mercaptobenzothiazole

  • Casno:

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  • Sodium mercaptobenzothiazole CAS 2492-26-4

  • Casno:

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    Sodium mercaptobenzothiazole CAS 2492-26-4

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  • 2(3H)-Benzothiazolethione,sodium salt (1:1)

  • Casno:

    2492-26-4

    2(3H)-Benzothiazolethione,sodium salt (1:1)

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    2492-26-4

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  • Sodium 2-Mercaptobenzothiazole

  • Casno:

    2492-26-4

    Sodium 2-Mercaptobenzothiazole

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  • Acmec Sodium mercaptobenzothiazole 25g

  • Casno:

    2492-26-4

    Acmec Sodium mercaptobenzothiazole 25g

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Consensus Reports

Reported in EPA TSCA Inventory.

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