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Substance Name: Bithionol [INN:BAN:JAN:NF]
RN: 97-18-7
UNII: AMT77LS62O
InChIKey: JFIOVJDNOJYLKP-UHFFFAOYSA-N

Note

  • Halogenated anti-infective agent that is used against trematode and cestode infestations.

Molecular Formula

  • C12-H6-Cl4-O2-S

Molecular Weight

  • 356.055
 

Classification Codes

  • Agricultural Chemical
  • Anthelmintics
  • Anti-Infective Agents
  • Anti-Infective Agents, Local
  • Antiparasitic Agents
  • Antiplatyhelmintic Agents
  • Drug / Therapeutic Agent
  • Fungicide, Bactericide, Wood Preservative
  • Tumor Data
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Names and Synonyms

Name of Substance

  • Bithionol
  • Bithionol [INN:BAN:JAN:NF]

MeSH Heading

  • Bithionol

Synonyms

  • 2,2'-Dihydroxy-3,3',5,5'-tetrachlorodiphenyl sulfide
  • 2,2'-Dihydroxy-3,3',5,5'-tetrachlorodiphenylsulfide
  • 2,2'-Thiobis(4,6-dichlorophenol)
  • 2-Hydroxy-3,5-dichlorophenyl sulfide
  • 2-Hydroxy-3,5-dichlorophenyl sulphide
  • 4-06-00-05646 (Beilstein Handbook Reference)
  • Actamer
  • AI3-50518
  • Bidiphen
  • Bis(2-hydroxy-3,5-dichlorophenyl) sulfide
  • Bis(3,5-dichloro-2-hydroxyphenyl) sulfide
  • Bisoxyphen
  • Bithin
  • Bithionol
  • Bithionol sulfide
  • Bithionolate
  • Bithionolum
  • Bithionolum [INN-Latin]
  • Bitin
  • Bitionol
  • Bitionol [INN-Spanish]
  • BRN 2003535
  • Caswell No. 852
  • CCRIS 2043
  • CP 3438
  • D 26
  • EINECS 202-565-0
  • EPA Pesticide Chemical Code 064201
  • HSDB 6380
  • Lorothidol
  • Lorothiodol
  • NCI-C60628
  • Neopellis
  • Nobacter
  • NSC 47129
  • TBP
  • TKhsd
  • UNII-AMT77LS62O
  • USAF B-22
  • Vancide BL
  • XL 7

Systematic Names

  • 2,2'-Thiobis(4,6-dichlorophenol)
  • Bithionol
  • Phenol, 2,2'-thiobis(4,6-dichloro-

Superlist Name

  • Phenol, 2,2'-thiobis(4,6-dichloro-

Registry Numbers

CAS Registry Number

  • 97-18-7

FDA UNII

  • AMT77LS62O

System Generated Number

  • 0000097187

Structure Descriptors

InChI

1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H

InChIKey

JFIOVJDNOJYLKP-UHFFFAOYSA-N

Smiles

c1(Sc2c(c(cc(c2)Cl)Cl)O)c(c(cc(c1)Cl)Cl)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01763,
mouse LD50 oral 760mg/kg (760mg/kg)   Drugs in Japan Vol. 6, Pg. 612, 1982.
rat LD50 oral 7mg/kg (7mg/kg)   Compilation of LD50 Values of New Drugs.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 188 deg C   EXP
pKa Dissociation Constant 4.82 (none)   EXP
log P (octanol-water) 5.910 (none)   EST
Water Solubility 4 mg/L 25 EXP
Vapor Pressure 1.10E-09 mm Hg 37 EXP
Atmospheric OH Rate Constant 8.85E-12 cm3/molecule-sec 25 EST

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