Introduction：Basic information about CAS 126651-85-2|5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
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| CAS Number | 126651-85-2 | Molecular Weight | 256.12200 |
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| Density | 1.83g/cm3 | Boiling Point | 326.6ºC at 760 mmHg |
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| Molecular Formula | C8H6BrN3S | Melting Point | / |
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| MSDS | / | Flash Point | 151.3ºC |
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Names
| Name | 5-(3-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione |
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BiologicalActivity
| Description | Tyrosinase-IN-16 (compound 19a) is a tyrosine kinase (Tyrosinase) inhibitor with Ki=470 nM. Tyrosinase-IN-16 is cytotoxic to B16F10 cells, with >90% inhibition at 20 μM[1]. |
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| Related Catalog | Research Areas >>CancerSignaling Pathways >>Metabolic Enzyme/Protease >>Tyrosinase |
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| References | [1]. Choi J, et al. Ensemble-Based Virtual Screening Led to the Discovery of New Classes of Potent Tyrosinase Inhibitors. J Chem Inf Model. 2016 Feb 22;56(2):354-67. |
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Chemical & Physical Properties
| Density | 1.83g/cm3 |
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| Boiling Point | 326.6ºC at 760 mmHg |
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| Molecular Formula | C8H6BrN3S |
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| Molecular Weight | 256.12200 |
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| Flash Point | 151.3ºC |
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| Exact Mass | 254.94700 |
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| PSA | 76.56000 |
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| LogP | 2.89680 |
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| Vapour Pressure | 0.000214mmHg at 25°C |
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| Index of Refraction | 1.775 |
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| InChIKey | ALETZOQAGIEADS-UHFFFAOYSA-N |
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| SMILES | S=c1nc(-c2cccc(Br)c2)[nH][nH]1 |
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Safety Information
Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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