3-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione

3-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione 基本信息
CAS号 54649-00-2 分子式 C19H18N4S
分子量 334.43800 精确质量  334.12500
PSA  85.30000 LogP  4.24490

基本信息 展开↓

CAS号:
54649-00-2
3D弹球模型:
立即前往扯扯看
分子式:
C19H18N4S
分子量:
334.43800
中文名称:
3-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
英文名称:
3-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
中文别名:
3-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
英文别名:
3-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione;
-1,2,4-triazole;
3-[(2-methyl-1h-indol-3-yl)methyl]-4-(4-methylphenyl)-1h-1,2,4-triazole-5-thione;
3-mercapto-4-p-tolyl-5-<
3-(2-methylindoly)methyl>
BRN 4535586;
2,4-Dihydro-5-((2-methyl-1H-indol-3-yl)methyl)-4-(4-methylphenyl)-3H-1,2,4-triazole-3-thione;
CTK5A2068;
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((2-methyl-1H-indol-3-yl)methyl)-4-(4-methylphenyl)-;
AG-F-90329;
LS-156230;
AC1MIBOO
精确分子量/精确质量:
334.12500
极性分子表面积/PSA:
85.30000
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: ZCAJLBFGHSOZMW-UHFFFAOYSA-N

物化性质展开↓

密度:
1.3g/cm3
沸点:
536ºC at 760 mmHg
闪点:
278ºC
折射率:
1.708

安全信息展开↓

海关代码:
2933990090

合成路线查看所有的合成路线

  • 54648-92-9

    1-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-(4-methylphenyl)thiourea

  • ~73%

  • 54649-00-2

    3-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione

  • 123-76-2

    乙酰丙酸

  • 54649-00-2

    3-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione

  • 59-88-1

    盐酸苯肼

  • 54649-00-2

    3-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5359150
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((2-methyl-1H-indol-3-yl)methyl)-4- (4-methylphenyl)-
CAS REGISTRY NUMBER :
54649-00-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H18-N4-S
MOLECULAR WEIGHT :
334.47

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
CNJPAZ Canadian Journal of Pharmaceutical Sciences. (Toronto, Ont., Canada) V.1-16, 1966-81. Discontinued. Volume(issue)/page/year: 9,108,1974

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%

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