Basic information
- Name:
2(3H)-Benzothiazolethione,sodium salt (1:1)
- Superlist Name:
- Sodium mercaptobenzothiazole
- CAS No.:
2492-26-4
- Molecular Structure:
- Formula:
- C7H5NNaS2
- Molecular Weight:
- 189.23
- Deleted CAS:
- 106691-70-7,26249-01-4
- 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;
- 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
- Risk Codes:
- 34
- Safety Description:
- 26-36/37/39 Details
- Transport Information:
- UN 1760
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Specification
The IUPAC name of Sodium-2-mercaptobenzothiazole is 3H-1,3-benzothiazole-2-thione; sodium. 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 this product 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-2-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.
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