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97-18-7 | Bithionol
CAS No: 97-18-7 Catalog No: AG003OEF MDL No:MFCD00055727
Product Description
Catalog Number:
AG003OEF
Chemical Name:
Bithionol
CAS Number:
97-18-7
Molecular Formula:
C12H6Cl4O2S
Molecular Weight:
356.0518
MDL Number:
MFCD00055727
IUPAC Name:
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol
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
InChI Key:
JFIOVJDNOJYLKP-UHFFFAOYSA-N
SMILES:
Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O
EC Number:
202-565-0
UNII:
AMT77LS62O
UN Number:
2811
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.881g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
356.038g/mol
Monoisotopic Mass:
353.884g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
Literature
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| In vitro toxicity of bithionol and bithionol sulphoxide to Neoparamoeba spp., the causative agent of amoebic gill disease (AGD). | Diseases of aquatic organisms 20100917 |
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| Determination of bithionol, bromophen, nitroxynil, oxyclozanide, and tribromsalan in milk with liquid chromatography coupled with tandem mass spectrometry. | Journal of AOAC International 20100101 |
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| Further development of bithionol therapy as a treatment for amoebic gill disease in Atlantic salmon, Salmo salar L. | Journal of fish diseases 20090501 |
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| Discovering chemical modifiers of oncogene-regulated hematopoietic differentiation. | Nature chemical biology 20090401 |
| Combining chemical genomics screens in yeast to reveal spectrum of effects of chemical inhibition of sphingolipid biosynthesis. | BMC microbiology 20090101 |
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| Hydrogen peroxide induced stress in human keratinocytes and its effect on bithionol toxicity. | Toxicology in vitro : an international journal published in association with BIBRA 20010101 |
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| Treatment of experimental pneumocystosis: review of 7 years of experience and development of a new system for classifying antimicrobial drugs. | Antimicrobial agents and chemotherapy 19920901 |
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