N-methylbenzo[d]thiazol-2-amine N-甲基苯并[d]噻唑-2-胺

CAS 16954-69-1 MFCD00035877

化学结构图

16954-69-1
SMILES: CNC1=NC2C=CC=CC=2S1

化学属性

Mol. FormulaC8H8N2S
Mol. Weight164.24
Melting Point140-142°

别名和识别编码

Chemical NameN-methylbenzo[d]thiazol-2-amine
CAS Number16954-69-1
Alfabeta NameMETHYLBENZOTHIAZOLAMINE N132-----,
MDL NumberMFCD00035877
Synonym N-methylbenzothiazol-2-amine benzothiazol-2-yl-methyl-amine 2-Benzothiazolamine, N-methyl- 2-methylaminobenzothiazole 2-(Methylamino)benzothiazole 2-Methylaminobenzothiazole
Wiswesser Line NotationT56 BN DSJ CM1
Beilstein Registry Number0122355
Chemical Name TranslationN-甲基苯并[d]噻唑-2-胺
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分类

  • {uni_hamburg} no charge; sulfur heterocycle; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 1fragment
  • {KO} AminesSecondaryHeteroNH

相关文献及参考

  • Short: III/10a Title: Structure Data of Organic Crystals: C ... C 15 Author: Schudt-Weitz, G.; Strell, I. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/10a Year: 1985 ISBN: 3-540-07834-7 ISBN: 978-3-540-07834-0 Internet Resource: DOI:10.1007/b19984 RefComment: XXII, 634 pages. Hardcover Abstract: The volume includes an alphabetical index of all substances and a separate "ring index" with all cyclic compounds.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Warnings IRRITANT
RTECSDL5775000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 5800 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JJTOEX Japanese Journal of Toxicology. (Yakugyo Jihosha, Hokushin Bldg.,
   2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo, 101, Japan)  V.1-   1988-
   Volume(issue)/page/year: 2,225,1989

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1190 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JJTOEX Japanese Journal of Toxicology. (Yakugyo Jihosha, Hokushin Bldg.,
   2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo, 101, Japan)  V.1-   1988-
   Volume(issue)/page/year: 2,225,1989

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 470 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JJTOEX Japanese Journal of Toxicology. (Yakugyo Jihosha, Hokushin Bldg.,
   2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo, 101, Japan)  V.1-   1988-
   Volume(issue)/page/year: 2,225,1989

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
1
Rotatable Bonds
1
LogP
1

系列性分类

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