TOTO 1

CAS Registry Number®

143413-84-7

CAS Name

TOTO 1

Molecular Formula

C49H58N6S2.4I

Cite this Page

TOTO 1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=143413-84-7 (retrieved 2025-01-05) (CAS RN: 143413-84-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    281 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C49H58N6S2.4HI/c1-50-44-22-11-13-24-46(44)56-48(50)36-38-26-30-52(42-20-9-7-18-40(38)42)28-15-32-54(3,4)34-17-35-55(5,6)33-16-29-53-31-27-39(41-19-8-10-21-43(41)53)37-49-51(2)45-23-12-14-25-47(45)57-49;;;;/h7-14,18-27,30-31,36-37H,15-17,28-29,32-35H2,1-6H3;4*1H/q+4;;;;/p-4

InChIKey

InChIKey=MZZINWWGSYUHGU-UHFFFAOYSA-J

SMILES

C(C=1C2=C([N+](CCC[N+](CCC[N+](CCC[N+]=3C4=C(C(C=C5N(C)C=6C(S5)=CC=CC6)=CC3)C=CC=C4)(C)C)(C)C)=CC1)C=CC=C2)=C7N(C)C=8C(S7)=CC=CC8.[I-]

Canonical SMILES

[I-].S1C=2C=CC=CC2N(C1=CC3=CC=[N+](C=4C=CC=CC34)CCC[N+](C)(C)CCC[N+](C)(C)CCC[N+]5=CC=C(C=C6SC=7C=CC=CC7N6C)C=8C=CC=CC85)C

Other Names for this Substance

  • Quinolinium, 1,1′-[1,3-propanediylbis[(dimethyliminio)-3,1-propanediyl]]bis[4-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-, iodide (1:4)
  • Quinolinium, 1,1′-[1,3-propanediylbis[(dimethyliminio)-3,1-propanediyl]]bis[4-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-, tetraiodide
  • 1,1′-[1,3-Propanediylbis[(dimethyliminio)-3,1-propanediyl]]bis[4-[(3-methyl-2(3H)-benzothiazolylidene)methyl]quinolinium iodide (1:4)
  • TOTO 1
  • Thiazole orange dimer TOTO 1

View All

Deleted or Replaced CAS Registry Numbers

146087-17-4, 169454-14-2, 174623-88-2, 1169389-40-5

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