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Substance Name: Thioindigo
RN: 522-75-8
InChIKey: JOUDBUYBGJYFFP-NXVVXOECSA-N

Molecular Formula

  • C16-H8-O2-S2

Molecular Weight

  • 296.369
 
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Names and Synonyms

Name of Substance

  • Thioindigo

Synonyms

  • 4,4'-Diisothioindigo
  • 5-19-05-00281 (Beilstein Handbook Reference)
  • Antinolo Red B
  • BRN 0088277
  • C.I. 73300
  • C.I. Vat Red 41
  • Ciba Pink B
  • Durindone Printing Red B
  • Durindone Red B
  • Durindone Red BP
  • EINECS 208-336-1
  • Heliane Red 5B
  • Helindon Red BB
  • Isothioindigo
  • Tetra Pink B
  • Thioindigo
  • Thioindigo Red B
  • Thioindigo Red S
  • Tina Pink B
  • Tyrian Red A-5B
  • Vat Red 5B

Systematic Names

  • (delta(sup 2,2'(3H,3'H))-Bibenzo(b)thiophene)-3,3'-dione
  • 2-(3-Oxobenzo(b)thien-2(3H)-ylidene)benzo(b)thiophene-3(2H)-one
  • Benzo(b)thiophen-3(2H)-one, 2-(3-oxobenzo(b)thien-2(3H)-ylidene)-

Registry Numbers

CAS Registry Number

  • 522-75-8

Other Registry Number

  • 389105-46-8

System Generated Number

  • 0000522758

Structure Descriptors

InChI

1S/C16H8O2S2/c17-13-9-5-1-3-7-11(9)19-15(13)16-14(18)10-6-2-4-8-12(10)20-16/h1-8H/b16-15-

InChIKey

JOUDBUYBGJYFFP-NXVVXOECSA-N

Smiles

O=C1c2c(S\C1=C1/Sc3c(cccc3)C1=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 4170mg/kg (4170mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(8), Pg. 91, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 359 deg C   EXP
log P (octanol-water) 3.530 (none)   EST
Atmospheric OH Rate Constant 3.64E-11 cm3/molecule-sec 25 EST

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