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Bithionol

CAT: 0931-T0830-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T0830-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
97-18-7
Target
Parasite, Photosensitizer, cAMP, Antibacterial
Related Pathways
GPCR/G Protein, Apoptosis, Microbiology/Virology
Purity
0.9927
Bioactivity
Bithionol (Actamer), formerly marketed as an active ingredient in various topical drug products, was shown to be a potent photosensitizer with the potential to cause serious skin disorders. Approvals of the NDA's for bithionol drug products were withdrawn on October 24, 1967.
Smiles
OC1=C(Cl)C=C(Cl)C=C1SC1=C(O)C(Cl)=CC(Cl)=C1
Molecular Formula
C12H6Cl4O2S
Molecular Weight
356.05
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bithionol

Bithionol is an aryl sulfide that is diphenyl sulfide in which each phenyl group is substituted at position 2 by hydroxy and at positions 3 and 5 by chlorine. A fungicide and anthelmintic, it was used in various topical drug products for the treatment of liver flukes, but withdrawn after being shown to be a potent photosensitizer with the potential to cause serious skin disorders. It has a role as an antiplatyhelmintic drug and an antifungal agrochemical. It is a dichlorobenzene, a polyphenol, an aryl sulfide, an organochlorine pesticide, a bridged diphenyl fungicide and a bridged diphenyl antifungal drug.

CAS Number97-18-7
PubChem CID2406
IUPAC Name2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol
Molecular FormulaC12H6Cl4O2S
Molecular Weight356.0
XLogP5.8
Topological Polar Surface Area65.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity281
SMILES
C1=C(C=C(C(=C1SC2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl
InChI
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
Chemical Structure
2D Structure
2D structure of Bithionol
CAS: 97-18-7
CID: 2406
Formula: C12H6Cl4O2S
MW: 356.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.0
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass355.881311
Monoisotopic Mass353.884261
Topological Polar Surface Area65.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-B591363-5GBithionol

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