3-巯基-4-甲基-5-(4-吡啶基)-1,2,4-三唑

3-巯基-4-甲基-5-(4-吡啶基)-1,2,4-三唑 基本信息
CAS号 3652-32-2 分子式 C8H8N4S
分子量 192.24100 精确质量  192.04700
PSA  82.40000 LogP  1.16580

基本信息 展开↓

CAS号:
3652-32-2
3D弹球模型:
立即前往扯扯看
分子式:
C8H8N4S
分子量:
192.24100
中文名称:
3-巯基-4-甲基-5-(4-吡啶基)-1,2,4-三唑
英文名称:
4-methyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
中文别名:
3-巯基-4-甲基-5-(4-吡啶基)-1,2,4-三唑;
4H-1,2,4-三唑-3-硫醇,4-甲基-5-(4-吡啶基)-;
4-甲基-5-(4-吡啶基)-2H-1,2,4-三唑-3-硫酮;
4-甲基-5-(吡啶-4-基)-4H-1,2,4-三唑-3-硫醇;
4-甲基-5-吡啶-4-基-2H-1,2,4-三唑-3-硫酮;
4-甲基-5-吡啶-4-基-4H-[1,2,4]三唑-3-硫醇;
4-甲基-5-吡啶-4-基-4H-1,2,4-三唑-3-硫醇;
英文别名:
4-methyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione;
4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thiol;
4H-1,2,4-Triazole-3-thiol,4-methyl-5-(4-pyridyl);
4-methyl-5-pyridin-4-yl-2,4-dihydro-3H-1,2,4-triazole-3-thione;
4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol;
4-Methyl-5-(4-pyridyl)-4H-1,2,4-triazole-3-thiol;
3-Mercapto-4-methyl-5-(4-pyridyl)-1,2,4-triazole;
Pyridine,4-(3-mercapto-4-methyl-5-(4H-1,2,4-triazolyl));
4-methyl-5-pyridin-4-yl-2,4-dihydro-[1,2,4]triazole-3-thione;
4-methyl-5-(pyridin-4'-yl)-1,2,4-triazole-3(2H)-thione;
4-methyl-3-(pyridin-4-yl)-1H-1,2,4-triazol-5(4H)-thione;
2,4-Dihydro-4-methyl-5-(4-pyridyl)-3H-1,2,4-triazole-3-thione;
2,4-Dihydro-4-methyl-5-(pyridin-4-yl)-3H-1,2,4-triazole-3-thione
精确分子量/精确质量:
192.04700
极性分子表面积/PSA:
82.40000
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: ACDUEIIMRXEFHO-UHFFFAOYSA-N

物化性质展开↓

密度:
1.4g/cm3
沸点:
294.6ºC at 760mmHg
闪点:
132ºC
折射率:
1.727

安全信息展开↓

海关代码:
2933990090
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 4406-96-6

    N1-甲基-2-(4-吡啶羰基)肼-1-硫代甲酰胺

  • ~79%

  • 3652-32-2

    4-methyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

  • 39178-35-3

    氯化异氰盐酸盐

  • +

  • 6610-29-3

    4-甲基氨基硫脲

  • ~56%

  • 3652-32-2

    4-methyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

  • 54-85-3

    异烟肼

  • 3652-32-2

    4-methyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UT4565000
CHEMICAL NAME :
Pyridine, 4-(3-mercapto-4-methyl-5-(4H-1,2,4-triazolyl))-
CAS REGISTRY NUMBER :
3652-32-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H8-N4-S
MOLECULAR WEIGHT :
192.26
WISWESSER LINE NOTATION :
T6NJ D- CT5NN DNJ D1 ESH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1100 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: 8,676,1965

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

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  • 4406-96-6

    N1-甲基-2-(4-吡啶羰基)肼-1-硫代甲酰胺

  • 39178-35-3

    氯化异氰盐酸盐

  • 6610-29-3

    4-甲基氨基硫脲

  • 54-85-3

    异烟肼

下游产品

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