Introduction：Basic information about CAS 845885-91-8|5-[[(7-CHLORO-4-QUINOLINYL)SULFANYL]METHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIO, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5-[[(7-CHLORO-4-QUINOLINYL)SULFANYL]METHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL |
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| CAS Number | 845885-91-8 | Molecular Weight | 322.83600 |
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| Density | 1.51g/cm3 | Boiling Point | 462.8ºC at 760 mmHg |
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| Molecular Formula | C13H11ClN4S2 | Melting Point | / |
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| MSDS | / | Flash Point | 233.7ºC |
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Names
| Name | 3-[(7-chloroquinolin-4-yl)sulfanylmethyl]-4-methyl-1H-1,2,4-triazole-5-thione |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.51g/cm3 |
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| Boiling Point | 462.8ºC at 760 mmHg |
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| Molecular Formula | C13H11ClN4S2 |
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| Molecular Weight | 322.83600 |
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| Flash Point | 233.7ºC |
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| Exact Mass | 322.01100 |
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| PSA | 107.70000 |
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| LogP | 3.59770 |
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| Index of Refraction | 1.758 |
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| InChIKey | CMIUIVMFUDYLGS-UHFFFAOYSA-N |
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| SMILES | Cn1c(CSc2ccnc3cc(Cl)ccc23)n[nH]c1=S |
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Synonyms
| 5-{[(7-chloro-4-quinolinyl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol |
