Benzothiazolium, 3-butyl-2-[3-(3-butyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-, iodide (1:1)
CAS Registry Number®
53213-85-7
CAS Name
Benzothiazolium, 3-butyl-2-[3-(3-butyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-, iodide (1:1)Molecular Formula
C25H29N2S2.ICite this Page
Benzothiazolium, 3-butyl-2-[3-(3-butyl-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/detail?cas_rn=53213-85-7 (retrieved ) (CAS RN: 53213-85-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C25H29N2S2.HI/c1-3-5-18-26-20-12-7-9-14-22(20)28-24(26)16-11-17-25-27(19-6-4-2)21-13-8-10-15-23(21)29-25;/h7-17H,3-6,18-19H2,1-2H3;1H/q+1;/p-1
InChIKey
InChIKey=IBLJGRBTLKWIGM-UHFFFAOYSA-M
SMILES
C(CCC)N1C=2C(SC1=CC=CC3=[N+](CCCC)C=4C(S3)=CC=CC4)=CC=CC2.[I-]
Canonical SMILES
[I-].S1C=2C=CC=CC2N(C1=CC=CC=3SC=4C=CC=CC4[N+]3CCCC)CCCC
Other Names for this Substance
- Benzothiazolium, 3-butyl-2-[3-(3-butyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-, iodide (1:1)
- Benzothiazolium, 3-butyl-2-[3-(3-butyl-2(3H)-benzothiazolylidene)-1-propenyl]-, iodide
Deleted or Replaced CAS Registry Numbers
1655515-96-0
