Benzothiazolium, 3-methyl-2-(3-methyl-2-benzothiazolinylidene)methyl-, iodide

CAS 2783-72-4 MFCD02783724

化学结构图

2783-72-4
SMILES: CN1/C(=C\c2sc3ccccc3[n+]2C)Sc2ccccc21.[IH-]

化学属性

Mol. Weight438.36
Mol. FormulaC17H15N2S2.I

别名和识别编码

Wiswesser Line NotationT56 BNYSJ B1 CU1- CT56 BK DSJ B1 &I
Chemical NameBenzothiazolium, 3-methyl-2-(3-methyl-2-benzothiazolinylidene)methyl-, iodide
Synonym 3,3'-Dimethylmonomethinethiacyanine iodide 3-Methyl-2-(3-methyl-2-benzothiazolinylidene)methylbenzothiazolium iodide
CAS Number2783-72-4
InChIKeyUDQIDVMRMHXSSK-UHFFFAOYSA-M
PubChem Substance ID6433347
InChIInChI=1S/C17H15N2S2.HI/c1-18-12-7-3-5-9-14(12)20-16(18)11-17-19(2)13-8-4-6-10-15(13)21-17;/h3-11H,1-2H3;1H/q+1;/p-1
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安全信息

RTECSDL7065000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 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: 10,897,1967

系列性分类

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