Introduction：Basic information about CAS 17557-67-4|6-(Methylsulfonyl)-1,3-benzothiazol-2-amine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 6-(Methylsulfonyl)-1,3-benzothiazol-2-amine |
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| CAS Number | 17557-67-4 | Molecular Weight | 228.29 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 500.8±56.0 °C at 760 mmHg |
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| Molecular Formula | C8H8N2O2S2 | Melting Point | 223 °C (dec.)(lit.) |
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| MSDS | / | Flash Point | 256.7±31.8 °C |
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Names
| Name | 2-Amino-6-(Methylsulfonyl)Benzothiazole |
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| Synonym | More Synonyms |
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BiologicalActivity
| Description | TbPTR1 inhibitor 2 (Compound 3a) is a PTR1 enzyme inhibitor, with IC50s of 34.2 and 32.9 μM for TbPTR1 and LmPTR1. TbPTR1 inhibitor 2 has anti-parasitic activity against T. brucei (IC50: 34.2 μM)[1]. |
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| Related Catalog | Research Areas >>Infection |
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| References | [1]. Linciano P, et al. Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J Med Chem. 2019 Apr 25;62(8):3989-4012. |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 500.8±56.0 °C at 760 mmHg |
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| Melting Point | 223 °C (dec.)(lit.) |
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| Molecular Formula | C8H8N2O2S2 |
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| Molecular Weight | 228.29 |
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| Flash Point | 256.7±31.8 °C |
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| Exact Mass | 228.002716 |
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| PSA | 109.67000 |
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| LogP | 0.17 |
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| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
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| Index of Refraction | 1.688 |
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| InChIKey | ZYHNHJAMVNINSY-UHFFFAOYSA-N |
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| SMILES | CS(=O)(=O)c1ccc2nc(N)sc2c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DL0863408
- CHEMICAL NAME :
- 2-Benzothiazolamine, 6-(methylsulfonyl)-
- CAS REGISTRY NUMBER :
- 17557-67-4
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 3
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534339
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - excitement Behavioral - ataxia
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534339
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Safety Information
| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36-S36/37/39-S22 |
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| RIDADR | UN 2811 6.1/PG 3 |
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| WGK Germany | 3 |
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| RTECS | DL0863408 |
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| HS Code | 2934999090 |
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Customs
| HS Code | 2934999090 |
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| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 2-amino-6-(methylsulfonyl)benzothiazole |
| 6-(Methylsulfonyl)-1,3-benzothiazol-2-amine |
| MFCD00179133 |
| 2-Amino-6-methylsulfonylbenzothiazole |
| 6-methylsulfonyl-1,3-benzothiazol-2-amine |
| 2-Benzothiazolamine, 6-(methylsulfonyl)- |
| EINECS 241-537-2 |
