2-氨基-5-甲基苯并噻唑

2-氨基-5-甲基苯并噻唑 基本信息
CAS号 14779-17-0 分子式 C8H8N2S
分子量 164.22800 精确质量  164.04100
PSA  67.15000 LogP  2.76810

基本信息 展开↓

CAS号:
14779-17-0
3D弹球模型:
立即前往扯扯看
分子式:
C8H8N2S
分子量:
164.22800
中文名称:
2-氨基-5-甲基苯并噻唑
英文名称:
5-methyl-1,3-benzothiazol-2-amine
中文别名:
2-氨基-5-甲基苯并噻唑;
Methyl ethanimidate, hydrochloride;
Acetimidic acid, methyl ester, hydrochloride;
Ethanimidic acid, methyl ester, hydrochloride (1:1);
1-methoxyethaniminium chloride;
methyl (1E)-ethanimidoate;
Methyl acetimidate hydrochloride;
NSC 21146;
UNII-5WA6R1KL5J;
2-sec-Butylcyclohexan-1-one;
2-(butan-2-yl)cyclohexanone;
2-(1-Methylpropyl)-Cyclohexanone;
zinc bis(dibenzyldithiocarbamate);
n,n-dibenzyl dithiocarbamic acid zine salt;
zinc, bisbis(phenylmethyl)carbamodithioato-.kappa.s,.kappa.s-, (t-4)-;
bibenzyldithiocarbamicacidzincsalt;
zinkbis(dibenzyldithiocarbamat);
zinc (dibenzylamino)methanedithioate;
bis[[(dibenzylamino)(thiocarbonyl)]thio] zinc;
dibenzyldithiocarbamic acid zinc salt,95%;
zinc bis(dibenzylcarbamodithioate);
dibenzyldithiocarbamate;
Dibenzyldithiocarbamic Acid, Zinc Salt;
Rubber Accelerator PX;
N-Ethyl-N-phenyldithiocarbamic acid zinc salt;
zinc bis[(2Z)-4-oxopent-2-en-2-olate];
Zn.Ac.Ac;
TMG-623;
UNII-BJ4HF6IU1D;
Visken;
(1)-1-(1H-Indol-4-yloxy)-3-(isopropylamino)propan-2-ol;
2-Propanol, 1-(1H-indol-4-yloxy)-3-
英文别名:
5-methyl-1,3-benzothiazol-2-amine;
5-Methyl-2-aminobenzothiazole;
5-methyl-benzothiazol-2-ylamine;
2-amino-5-methyl-benzothiazole;
BENZOTHIAZOLE,2-AMINO-5-METHYL;
5-methylbenzothiazol-2-amine;
2-Benzothiazolamine,5-methyl;
5-Methyl-benzothiazol-2-ylamin
精确分子量/精确质量:
164.04100
极性分子表面积/PSA:
67.15000
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:
InChI=1/C8H8N2S/c1-5-2-3-7-6(4-5)10-8(9)11-7/h2-4H,1H3,(H2,9,10)

生产制备方法及用途展开↓

制备方法


本品用作农药中间体。

用途简介


物化性质展开↓

密度:
1.315g/cm3
沸点:
322ºC at 760mmHg
闪点:
148.6ºC
折射率:
1.726
蒸汽压:
0.000287mmHg at 25°C

安全信息展开↓

海关代码:
2934200090

合成路线查看所有的合成路线

  • 13194-69-9

    2-碘-5-甲基苯胺

  • +

  • 17356-08-0

    aminothioamide

  • ~91%

  • 14779-17-0

    2-氨基-5-甲基苯并噻唑

  • 1147550-11-5

    1147550-11-5

  • +

  • 108-44-1

    3-甲基苯胺

  • ~72%

  • 14779-17-0

    2-氨基-5-甲基苯并噻唑

  • 621-40-9

    间甲苯基-2-硫脲

  • ~66%

  • 14779-17-0

    2-氨基-5-甲基苯并噻唑

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL2450000
CHEMICAL NAME :
Benzothiazole, 2-amino-5-methyl-
CAS REGISTRY NUMBER :
14779-17-0
BEILSTEIN REFERENCE NO. :
0122353
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H8-N2-S
MOLECULAR WEIGHT :
164.24
WISWESSER LINE NOTATION :
T56 BN DSJ CZ G1

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 :
1070 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 105,486,1952
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
74 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 105,486,1952

海关数据查看详细

中国海关编码:2934200090

概述:
2934200090. 其他含一个苯并噻唑环系的化合物. 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
摘要/Summary:
2934200090. other compounds containing in the structure a benzothiazole ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):2.4

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:0

5.互变异构体数量:2

6.拓扑分子极性表面积:67.2

7.重原子数量:11

8.表面电荷:0

9.复杂度:151

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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