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Substance Name: 3,3'-Diethyl-9-methylthiacarbocyanine iodide
RN: 3065-79-0
InChIKey: SAEMBGFHGROQJZ-UHFFFAOYSA-M

Molecular Formula

  • C22-H23-N2-S2.I

Molecular Weight

  • 506.47
 
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Names and Synonyms

Name of Substance

  • 3,3'-Diethyl-9-methylthiacarbocyanine iodide

Synonyms

  • 3,3'-Diethyl-9-methylthiacarbocyanine iodide
  • Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)-, iodide
  • EINECS 221-317-2
  • NSC 96932

Systematic Names

  • 3-Ethyl-2-(3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl)benzothiazolium iodide
  • Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-, iodide (1:1)
  • Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)-, iodide
  • Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2-benzothiazolinylidene)-2-methyl-1-propenyl)-, iodide

Registry Numbers

CAS Registry Number

  • 3065-79-0

Other Registry Number

  • 51895-84-2

System Generated Number

  • 0003065790

Molecular Formulas

Molecular Formula

  • C22-H23-N2-S2.I

Molecular Formula Fragments

  • C22-H23-N2-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C22H23N2S2.HI/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1

InChIKey

SAEMBGFHGROQJZ-UHFFFAOYSA-M

Smiles

c12N(\C(=C\C(=C\c3[n+](c4ccccc4s3)CC)C)Sc1cccc2)CC.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 3600ug/kg (3.6mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03432,