Tibezonium iodide

CAS Registry Number®

54663-47-7

CAS Name

Tibezonium iodide

Molecular Formula

C28H32N3S2.I

Cite this Page

Tibezonium iodide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54663-47-7 (retrieved 2024-11-21) (CAS RN: 54663-47-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    162 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C28H32N3S2.HI/c1-4-31(3,5-2)19-20-32-28-21-27(29-25-13-9-10-14-26(25)30-28)22-15-17-24(18-16-22)33-23-11-7-6-8-12-23;/h6-18H,4-5,19-21H2,1-3H3;1H/q+1;/p-1

InChIKey

InChIKey=YTSPICCNZMNDQT-UHFFFAOYSA-M

SMILES

S(CC[N+](CC)(CC)C)C=1CC(=NC=2C(N1)=CC=CC2)C3=CC=C(SC4=CC=CC=C4)C=C3.[I-]

Canonical SMILES

[I-].N=1C=2C=CC=CC2N=C(C=3C=CC(SC=4C=CC=CC4)=CC3)CC1SCC[N+](C)(CC)CC

Other Names for this Substance

  • Ethanaminium, N,N-diethyl-N-methyl-2-[[4-[4-(phenylthio)phenyl]-3H-1,5-benzodiazepin-2-yl]thio]-, iodide (1:1)
  • Ethanaminium, N,N-diethyl-N-methyl-2-[[4-[4-(phenylthio)phenyl]-3H-1,5-benzodiazepin-2-yl]thio]-, iodide
  • 3H-1,5-Benzodiazepine, ethanaminium deriv.
  • Tibezonium iodide
  • Thiabenzazonium iodide

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CAS INSIGHTSTM
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