Benzothiazolium, 3-hexyl-2-[3-(3-hexyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-, iodide (1:1)
CAS Registry Number®
53213-87-9
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CAS Name
Benzothiazolium, 3-hexyl-2-[3-(3-hexyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-, iodide (1:1)Molecular Formula
C29H37N2S2.ICite this Page
Benzothiazolium, 3-hexyl-2-[3-(3-hexyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-, iodide (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=53213-87-9 (retrieved ) (CAS RN: 53213-87-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C29H37N2S2.HI/c1-3-5-7-13-22-30-24-16-9-11-18-26(24)32-28(30)20-15-21-29-31(23-14-8-6-4-2)25-17-10-12-19-27(25)33-29;/h9-12,15-21H,3-8,13-14,22-23H2,1-2H3;1H/q+1;/p-1
InChIKey
InChIKey=NTVGGYAQVRBHAB-UHFFFAOYSA-M
SMILES
C(CCCCC)N1C=2C(SC1=CC=CC3=[N+](CCCCCC)C=4C(S3)=CC=CC4)=CC=CC2.[I-]
Canonical SMILES
[I-].S1C=2C=CC=CC2N(C1=CC=CC=3SC=4C=CC=CC4[N+]3CCCCCC)CCCCCC
Other Names for this Substance
- Benzothiazolium, 3-hexyl-2-[3-(3-hexyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-, iodide (1:1)
- Benzothiazolium, 3-hexyl-2-[3-(3-hexyl-2(3H)-benzothiazolylidene)-1-propenyl]-, iodide
- 3,3′-Dihexylthiacarbocyanine iodide
Deleted or Replaced CAS Registry Numbers
100641-75-6
