5-(4-吡啶基)-1H-1,2,4-三唑-3-硫醇

5-(4-吡啶基)-1H-1,2,4-三唑-3-硫醇 基本信息
CAS号 1477-24-3 分子式 C7H6N4S
分子量 178.21400 精确质量  178.03100
PSA  89.45000 LogP  1.52930

基本信息 展开↓

CAS号:
1477-24-3
3D弹球模型:
立即前往扯扯看
分子式:
C7H6N4S
分子量:
178.21400
中文名称:
5-(4-吡啶基)-1H-1,2,4-三唑-3-硫醇
英文名称:
1H-1,2,4-Triazole-3-thiol, 5-(4-pyridyl)-
中文别名:
5-(4-吡啶基)-1H-1,2,4-三唑-3-硫醇;
1H-1,2,4-Triazole-3-thiol, 5-(4-pyridyl)
英文别名:
1H-1,2,4-Triazole-3-thiol, 5-(4-pyridyl)-;
5-(4-Pyridyl)-3-mercapto-1H-1,2,4-triazole;
5-pyridin-4-yl-2,4-dihydro-[1,2,4]triazole-3-thione;
5-(4-Pyridyl)-1H-1,2,4-triazole-3(2H)-thione;
3-(4-Pyridyl)-1,2,4-triazolin-5-thion;
BUTTPARK 7840-33;
3-(4-pyridyl)triazoline-5-thione;
3-(4-Pyridyl)-triazolin-5-thion;
5-(pyridin-4'-yl)-1,2,4-triazole-3(2H)-thione;
3-(pyridin-4-yl)-1H-1,2,4-triazole-5(4H)-thione;
5-(4-Pyridyl)-4H-1,2,4-triazole-3-thiol;
5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL;
RARECHEM BG FB 0062;
5-(Pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
精确分子量/精确质量:
178.03100
极性分子表面积/PSA:
89.45000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: PBTAXYKMCKLQSM-UHFFFAOYSA-N

物化性质展开↓

熔点:
321-322℃ (dec.)

安全信息展开↓

海关代码:
2933990090

合成路线查看所有的合成路线

  • 14397-24-1

    (pyridine-4-carbonylamino)thiourea

  • ~75%

  • 1477-24-3

    5-(4-吡啶基)-1H-1,2,4-三唑-3-硫醇

  • 14397-24-1

    (pyridine-4-carbonylamino)thiourea

  • +

  • 64-17-5

    乙醇

  • +

  • 141-52-6

    乙醇钠

  • 1477-24-3

    5-(4-吡啶基)-1H-1,2,4-三唑-3-硫醇

  • 119-64-2

    1,2,3,4-四氢萘

  • +

  • 14397-24-1

    (pyridine-4-carbonylamino)thiourea

  • 1477-24-3

    5-(4-吡啶基)-1H-1,2,4-三唑-3-硫醇

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5355000
CHEMICAL NAME :
1H-1,2,4-Triazole-3-thiol, 5-(4-pyridyl)-
CAS REGISTRY NUMBER :
1477-24-3
LAST UPDATED :
199707
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H6-N4-S
MOLECULAR WEIGHT :
178.23
WISWESSER LINE NOTATION :
T6NJ D- ET5MN DNJ CSH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD05 - Lethal Dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
156 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
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 38,2595,1990

海关数据查看详细

中国海关编码:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/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%

上下游相关产品

上游产品

更多
  • 14397-24-1

    (pyridine-4-carbonylamino)thiourea

  • 55-22-1

    异烟酸

  • 14254-57-0

    异烟酸酰氯

  • 119-64-2

    1,2,3,4-四氢萘

  • 64-17-5

    乙醇

下游产品

更多
  • 14803-99-7

    4-(1H-[1,2,4]噻唑-3-基)-吡啶

  • 88317-52-6

    N,N-dimethyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便