Benzothiazolium, 3-butyl-2-[3-(3-butyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-, iodide (1:1)

CAS Registry Number®

17636-07-6

CAS Name

Benzothiazolium, 3-butyl-2-[3-(3-butyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-, iodide (1:1)

Molecular Formula

C26H31N2S2.I

Molecular Mass

562.58

Cite this Page

Benzothiazolium, 3-butyl-2-[3-(3-butyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-, iodide (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17636-07-6 (retrieved 2025-09-01) (CAS RN: 17636-07-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H31N2S2.HI/c1-4-6-16-27-21-12-8-10-14-23(21)29-25(27)18-20(3)19-26-28(17-7-5-2)22-13-9-11-15-24(22)30-26;/h8-15,18-19H,4-7,16-17H2,1-3H3;1H/q+1;/p-1

InChIKey

InChIKey=VLCSOWYEIVLPQL-UHFFFAOYSA-M

SMILES

C(CCC)N1C=2C(SC1=CC(=CC3=[N+](CCCC)C=4C(S3)=CC=CC4)C)=CC=CC2.[I-]

Canonical SMILES

[I-].S1C=2C=CC=CC2N(C1=CC(=CC=3SC=4C=CC=CC4[N+]3CCCC)C)CCCC

Other Names for this Substance

  • Benzothiazolium, 3-butyl-2-[3-(3-butyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-, iodide (1:1)
  • Benzothiazolium, 3-butyl-2-[3-(3-butyl-2-benzothiazolinylidene)-2-methylpropenyl]-, iodide
  • Benzothiazolium, 3-butyl-2-[3-(3-butyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-, iodide
  • Thiacarbocyanine iodide, 3,3′-dibutyl-
  • 3,3′-Dibutyl-9-methylthiacarbocyanine, iodide

Deleted or Replaced CAS Registry Numbers

116777-25-4, 1655516-06-5

CAS INSIGHTSTM
Polytetrafluoroethylene (PTFE), molecular model. Synthetic fluoropolymer of tetrafluoroethylene.