1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)- 5-(吡嗪-2-基)-1,2-二氢-3H-1,2,4-三唑-3-硫酮
CAS 3458-03-5 MFCD01678548
化学结构图
SMILES: S=c1nc(-c2cnccn2)[nH][nH]1
化学属性
| Mol. Formula | C6H5N5S |
|---|---|
| Mol. Weight | 179.20 |
别名和识别编码
| Chemical Name | 1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)- |
|---|---|
| Wiswesser Line Notation | T6N DNJ B- ET5MN DNJ CSH |
| Synonym | 5-(Pyrazin-2-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione {LY} 5-(Pyrazin-2-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione {} {LY} 5-(Pyrazin-2-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione {} {} {LY} 5-(Pyrazin-2-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione {} {} {} {LY} 5-(Pyrazin-2-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione {} {} {} {} {LY} 5-(Pyrazin-2-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione {} {} {} {} {} {LY} 5-(Pyrazin-2-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione {} {} {} {} {} {} {LY} 5-(Pyrazin-2-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione {} {} {} {} {} {} {} {LY} 5-(Pyrazin-2-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione {} {} {} {} {} {} {} {} {LY} 5-(Pyrazin-2-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione {} {} {} {} {} {} {} {} {} {LY} 5-(Pyrazin-2-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione {} {} {} {} {} {} {} {} {} {} {LY} 5-(Pyrazin-2-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione {} {} {} {} {} {} {} {} {} {} {} {LY} 5-(Pyrazin-2-yl)-1,2-dihydro-3H-1,2,4-triazole-3-th |
| CAS Number | 3458-03-5 |
| InChIKey | PYJDTGAKPZUJRF-UHFFFAOYSA-N |
| PubChem Substance ID | 830137 |
| InChI | InChI=1S/C6H5N5S/c12-6-9-5(10-11-6)4-3-7-1-2-8-4/h1-3H,(H2,9,10,11,12) |
| Chemical Name Translation | 5-(吡嗪-2-基)-1,2-二氢-3H-1,2,4-三唑-3-硫酮 |
| Canonical SMILES | C1=CN=C(C=N1)C2=NC(=S)NN2 |
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安全信息
TYPE OF TEST : LD05 - Lethal Dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 780 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 9,42,1966
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