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| CAS No.: | 155-04-4 |
|---|---|
| Name: | Zinc 2-mercaptobenzothiazole |
| Molecular Structure: | |
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| Formula: | 2(C7H4NS2).Zn |
| Molecular Weight: | 397.885 |
| Synonyms: | 2(3H)-Benzothiazolethione,zinc salt (8CI,9CI);Benzothiazole, 2-mercapto-, zinc salt (6CI);2-Mercaptobenzothiazole zinc salt;Bis(benzothiazole-2-thiolato)zinc;Hermat Zn-MBT;MZ;Nocceler MZ;OXAF;Pennac ZT;Perkacit ZMBT;Sanceler MZ;Soxinol MZ; |
| EINECS: | 205-840-3 |
| Density: | 1.7 g/cm3(Temp: 25 °C) |
| Melting Point: | 88°C |
| Boiling Point: | 281.3 °C at 760 mmHg |
| Flash Point: | 123.9 °C |
| Solubility: | 20.6mg/L at 20℃ |
| Appearance: | Off-white to pale yellow powder |
| PSA: | 132.86000 |
| LogP: | 5.70290 |
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- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
- 149-30-4
2-Mercaptobenzothiazole
- 7733-02-0
zinc(II) sulfate
- 155-04-4
2-mercaptobenzothiazole thiazole zinc
| Conditions | Yield |
|---|---|
| In water Milling; Green chemistry; | 99.5% |
- 149-30-4
2-thioxo-3H-1,3-benzothiazole
- 5970-45-6
zinc(II) acetate dihydrate
- 155-04-4
2-mercaptobenzothiazole thiazole zinc
| Conditions | Yield |
|---|---|
| In ethanol addn. of Zn-compound to hot soln. of ligand with stirring;; filtration of ppt.; washed (EtOH); dried (vacuum, 80°C); | 85% |
| Conditions | Yield |
|---|---|
| In ethanol mixing the soln. of Zn(CH3CO2)2 and 2-mercaptobenzothiazole with stirring, 30 min cooling in ice water bath, filtration; collection of the precipitate, washing (de-ionized water), vac. drying at 60 °C overnight; |
| Conditions | Yield |
|---|---|
| With carbon dioxide; ammonia; potassium hydroxide; zinc(II) oxide In water at 50 - 100℃; pH=8.57 - 10.67; Product distribution / selectivity; |
- 155-04-4
2-mercaptobenzothiazole thiazole zinc
- 152272-24-7
2,2'-bipyridine bis(benzothiazole-2-thionato)zinc(II)
| Conditions | Yield |
|---|---|
| With (C5H4N)2 In chloroform; N,N-dimethyl-formamide addn. of ligand in CHCl3/DMF to suspn. fo Zn-compound in CHCl3 at room temp.; stirred for 2 h;; filtration; filtrate allowed to stand at room temp. for 5 d; pptn.; vacuum filtration; washing (acetone); elem. anal.; | 85% |
- 155-04-4
2-mercaptobenzothiazole thiazole zinc
- 154155-38-1, 14740-86-4
zinc(II)(benzothiazole-2-thiolate)2(pyridine)2
| Conditions | Yield |
|---|---|
| With pyridine In pyridine slow addn. of Zn-compound to dry pyridine at room temp. with stirring;; filtration; filtrate allowed to stand for 1 week at room temp.; pptn.; filtration; crystals dried (N2-stream); elem. anal.; | 80% |
| Conditions | Yield |
|---|---|
| In chloroform; N,N-dimethyl-formamide addn. of ligand in CHCl3/DMF to suspn. fo Zn-compound in CHCl3 at room temp.; stirred for 12 h at 60°C;; filtration; filtrate allowed to stand at room temp. for 2 weeks; pptn.; vacuum filtration; elem. anal.; | 70% |
- 615-20-3
2-chlorobenzo[d][1,3]thiazole
- 155-04-4
2-mercaptobenzothiazole thiazole zinc
- 4074-77-5
2,2'-thiobis(benzothiazole)
| Conditions | Yield |
|---|---|
| In chlorobenzene Heating; |
- 2407-11-6
2-chloro-6-nitrobenzothiazole
- 155-04-4
2-mercaptobenzothiazole thiazole zinc
- 91960-67-7
6-nitro-2,2'-sulfanediyl-bis-benzothiazole
| Conditions | Yield |
|---|---|
| In benzene Heating; |
- 105-39-5
chloroacetic acid ethyl ester
- 155-04-4
2-mercaptobenzothiazole thiazole zinc
- 24044-88-0
ethyl 2-(benzo[d]thiazol-2-ylthio)acetate
| Conditions | Yield |
|---|---|
| In chlorobenzene for 8h; Heating; |
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Consensus Reports
Specification
The Bis(2-benzothiazolylthio)zinc , with cas registry number of 155-04-4, has other registry numbers including 12564-44-2, 16529-10-5, and 96380-91-5. It belongs to categories of Industrial/Fine Chemicals; Organic-metal salt. Its IUPAC name is called zinc 1,3-benzothiazole-2-thiolate . Its systematic name is called zinc bis(1,3-benzothiazole-2-thiolate) . This chemical can be used as rubber accelerator and fungicide.
Physical properties about this chemical are: (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.
When you are using this chemical, please be cautious about it as the following:
Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits very toxic fumes of SOx, NOx, and ZnO.
You can still convert the following datas into molecular structure:
(1)SMILES:[Zn+2].[S-]c1nc2ccccc2s1.[S-]c1nc2ccccc2s1;
(2)InChI:InChI=1/2C7H5NS2.Zn/c2*9-7-8-5-3-1-2-4-6(5)10-7;/h2*1-4H,(H,8,9);/q;;+2/p-2;
(3)InChIKey:PGNWIWKMXVDXHP-NUQVWONBAX
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | National Technical Information Service. Vol. AD277-689, | |
| rat | LD50 | oral | 540mg/kg (540mg/kg) | Vanderbilt, R.T., Co., Technical Data Sheet. Vol. 09DEC1976, |