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Substance Name: Dithiazanine iodide [USP:INN]
RN: 514-73-8
UNII: 8OEC3RA07X
InChIKey: MNQDKWZEUULFPX-UHFFFAOYSA-M

Note

  • 3-Ethyl-2-(5-(3-ethyl-2-benzothiazolinylidene)-1,3- pentadienyl)benzothiazolium. A benzothiazole that was formerly used as an antinematodal agent and is currently used as a fluorescent dye.

Molecular Formulas

  • C23-H23-I-N2-S2
  • C23-H23-N2-S2.I

Molecular Weight

  • 518.4807
 

Classification Code

  • Threshold Planning Quantity (TPQ) = 500/10000 lb
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Names and Synonyms

Name of Substance

  • Dithiazanine iodide
  • Dithiazanine iodide [USP:INN]

Synonyms

  • (2-Bis(3-ethylbenzothiazolyl))pentamethine cyanine iodide
  • 3,3'-Diethyl-2,2'-thiadicarbocyanine iodide
  • 3,3'-Diethyldithiacarbodicyanine iodide
  • 3,3'-Diethylpentamethinethiacyanine iodide
  • 3,3'-Diethylthiadicarbocyanine iodide
  • 3-Ethyl-2-(5-(3-ethyl-2-(3H)-benzothiazolylidene)-1,3-pentadienyl)benzothiazolium iodide
  • 3-Ethyl-2-(5-(3-ethyl-2-benzothiazolinylidene)-1,3-pentadienyl)benzothiazolium iodide
  • Abminthic
  • AI3-50132
  • Anelmid
  • Anguifugan
  • Benzothiazolium, 3-ethyl-2-(5-(3-ethyl-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-, iodide
  • Compound 01748
  • DEJO
  • Delvex
  • Deselmine
  • Diethylthiadicarbocyanine iodide
  • Dilombrin
  • Dilombrine
  • Dithiazanine iodide
  • Dithiazanini iodidum
  • Dithiazanini iodidum [INN-Latin]
  • Dithiazine
  • Dithiazinine
  • Dizan
  • DQOCI
  • Eastman 7663
  • EINECS 208-186-7
  • HSDB 6390
  • Iodure de dithiazanine
  • Iodure de dithiazanine [INN-French]
  • Ioduro de ditiazanina
  • Ioduro de ditiazanina [INN-Spanish]
  • L-01748
  • Nectocyd
  • Netocyd
  • NK 136
  • NSC 221154
  • Omni-passin
  • Ossiurene (AMSA, Italy)
  • Partel
  • Telmicid
  • Telmid
  • Telmide
  • UNII-8OEC3RA07X
  • Vercidon

Systematic Names

  • 3-Ethyl-2-(5-(3-ethyl-2-benzothiazolinylidene)-1,3-pentadienyl)benzothiazolium iodide
  • Benzothiazolium, 3-ethyl-2-(5-(3-ethyl-2(3H)-benzothiazolylidene)-1,3-pentadien-1-yl)-, iodide (1:1)
  • Benzothiazolium, 3-ethyl-2-(5-(3-ethyl-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-, iodide
  • Benzothiazolium, 3-ethyl-2-(5-(3-ethyl-2-benzothiazolinylidene)-1,3-pentadienyl)-, iodide
  • Dithiazanine iodide

Superlist Name

  • Dithiazanine iodide

Registry Numbers

CAS Registry Number

  • 514-73-8

FDA UNII

  • 8OEC3RA07X

Other Registry Numbers

  • 1186-69-2
  • 120103-39-1
  • 1986-69-2
  • 51895-78-4

System Generated Number

  • 0000514738

Molecular Formulas

Molecular Formulas

  • C23-H23-I-N2-S2
  • C23-H23-N2-S2.I

Molecular Formula Fragments

  • C23-H23-N2-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C23H23N2S2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1

InChIKey

MNQDKWZEUULFPX-UHFFFAOYSA-M

Smiles

c12n(/c(=C\C=C\C=C\c3[n+](c4c(s3)cccc4)CC)sc1cccc2)CC.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3mg/kg (3mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 897, 1967.
mouse LD50 intravenous 1mg/kg (1mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02015,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.570 (none)   EST
Atmospheric OH Rate Constant 1.79E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.