Introduction：Basic information about CAS 6957-85-3|1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione |
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| CAS Number | 6957-85-3 | Molecular Weight | 207.27500 |
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| Density | 1.73 g/cm3 | Boiling Point | 339.6ºC at 760 mmHg |
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| Molecular Formula | C8H5N3S2 | Melting Point | / |
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| MSDS | / | Flash Point | 159.2ºC |
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Names
| Name | 2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.73 g/cm3 |
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| Boiling Point | 339.6ºC at 760 mmHg |
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| Molecular Formula | C8H5N3S2 |
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| Molecular Weight | 207.27500 |
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| Flash Point | 159.2ºC |
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| Exact Mass | 206.99200 |
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| PSA | 93.42000 |
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| LogP | 2.60660 |
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| Index of Refraction | 1.935 |
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| InChIKey | QTXZICUYCJDYLP-UHFFFAOYSA-N |
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| SMILES | S=c1[nH]nc2sc3ccccc3n12 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XZ5478000
- CHEMICAL NAME :
- s-Triazolo(3,4-b)benzothiazole-3-thiol
- CAS REGISTRY NUMBER :
- 6957-85-3
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H5-N3-S2
- MOLECULAR WEIGHT :
- 207.28
- WISWESSER LINE NOTATION :
- T B556 BN DNN GSJ CSH
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02811
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Safety Information
| Hazard Codes | Xi: Irritant; |
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| HS Code | 2934100090 |
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Customs
| HS Code | 2934100090 |
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| Summary | 2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0% |
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Synonyms
| s-Triazolo(3,4-b)benzothiazol-3-thiol |
| 10-mercapto-2,3-azinomethylbenzothiazole |
| [1,2,4]triazolo[3,4-b][1,3]benzothiazole-3-thiol |
| s-Triazolo[3,4-b]benzothiazole-3-thiol |
| benzo[4,5]thiazolo[2,3-c][1,2,4]triazole-3-thiol |
| 3-mercapto-7-thia-1,2,3-triazacyclopentaindene |
| 2H-Benzo[4,5]thiazolo[2,3-c][1,2,4]triazole-3-thione |
| 1,2,4-Triazolo(3,4-b)benzothiazole-3(2H)-thione |
