1H-1,2,4-Triazole-3-thiol, 5-(p-ureidophenyl)-
CAS 3414-98-0 MFCD01678554
化学结构图
SMILES: NC(=O)Nc1ccc(-c2nc(S)n[nH]2)cc1
化学属性
| Mol. Formula | C9H9N5OS |
|---|---|
| Mol. Weight | 235.29 |
别名和识别编码
| Chemical Name | 1H-1,2,4-Triazole-3-thiol, 5-(p-ureidophenyl)- |
|---|---|
| Wiswesser Line Notation | T5MN DNJ CSH ER DMVZ |
| Synonym | 5-(p-Ureidophenyl)-1H-1,2,4-triazole-3-thiol Urea, 1-(p-(3-mercapto-s-triazol-5-yl)phenyl)- p-(3-Mercapto-s-triazol-5-yl)phenylurea |
| Beilstein Registry Number | 2985930 |
| CAS Number | 3414-98-0 |
| InChIKey | ZQYMUOLZXUSCAN-UHFFFAOYSA-N |
| PubChem Substance ID | 3037992 |
| InChI | InChI=1S/C9H9N5OS/c10-8(15)11-6-3-1-5(2-4-6)7-12-9(16)14-13-7/h1-4H,(H3,10,11,15)(H2,12,13,14,16) |
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安全信息
TYPE OF TEST : LD05 - Lethal Dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 198 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
