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Substance Name: Benzothiazolium, 3-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-, bromide, hydrate (1:1:2)
RN: 19003-87-3
InChIKey: UBFAHTYVCDVHSS-UHFFFAOYSA-M

Molecular Formula

  • C21-H21-N2-S2.Br.2H2-O

Molecular Weight

  • 477.532
 
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Names and Synonyms

Synonym

  • 2-(2-Ethyl-3-(3-methyl-2-benzothiazolylidene)-1-propenyl)-3-methylbenzothiazolium bromide

Systematic Names

  • Benzothiazolium, 3-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-, bromide, hydrate (1:1:2)
  • Benzothiazolium, 3-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-, bromide, dihydrate

Registry Numbers

CAS Registry Number

  • 19003-87-3

System Generated Number

  • 0019003873

Molecular Formulas

Molecular Formula

  • C21-H21-N2-S2.Br.2H2-O

Molecular Formula Fragments

  • Br
  • C21-H21-N2-S2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H21N2S2.2CH4.BrH/c1-4-15(13-20-22(2)16-9-5-7-11-18(16)24-20)14-21-23(3)17-10-6-8-12-19(17)25-21;;;/h5-14H,4H2,1-3H3;2*1H4;1H/q+1;;;/p-1

InChIKey

UBFAHTYVCDVHSS-UHFFFAOYSA-M

Smiles

c1([n+](c2ccccc2s1)C)\C=C(/C=C1/N(c2ccccc2S1)C)CC.[BrH-].C.C