Bithionol sulfoxide
Basic information
- CAS
844-26-8- Standard SMILES
O=S(c1cc(Cl)cc(Cl)c1O)c1cc(Cl)cc(Cl)c1O- InChIKey
RPAJWWXZIQJVJF-UHFFFAOYSA-N- Molecular formula
- C12H6Cl4O3S
- Average molar mass
- 372 g/mol
- Monoisotopic mass
- 369.879176
Overview
Bithionoloxide is a small molecule drug. Bithionoloxide has a monoisotopic molecular weight of 369.88 Da.
Names & identifiers
- Preferred name
- Bithionol sulfoxide
- IUPAC
- 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfinylphenol
- English name
- BITHIONOL SULFOXIDE
- Molecular formula
- C12H6Cl4O3S
- Molecular weight
- 372.05
Names & synonyms
Bithionol sulfoxideBithionoloxide844-26-8BitionoloxidoBithionoloxidumDTXSID5046225NSC-5239106PL3DO2B30DTXCID3026225bis(2-hydroxy-3,5-dichlorophenyl)sulfoxidebis(3,5-dichloro-2-hydroxyphenyl)sulfoxideRefChem:569584
Show more names
bitinssulphenedistobitindisto-5-coglaLABOTEST-BB LT00772303Bithionol sulfoxidewith2,2’-sulfinylbis(4,6-dichloro-pheno6,6’-sulfinylbis(2,4-dichlorophenol)
212-679-2Bithionol (sulfoxide)2,2'-Sulfinylbis(4,6-dichlorophenol)Bithionoloxide [INN]2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfinylphenol6,6'-Sulfinylbis(2,4-dichlorophenol)MFCD00056677MLS003373842
Database identifiers
- CAS
844-26-8- PubChem CID
- 68939
- DTXSID
DTXSID5046225- ChEMBL
CHEMBL1603949- UNII
- 6PL3DO2B30
- EC Number
- 212-679-2
- Nikkaji
- J7.136F
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Experimental & physicochemical properties
LogP4.13
Physicochemical properties
- Melting point
- 220 °C · 220 °C(Solv: methanol (67-56-1))
- Boiling point
- 532.7 · 532.7±50.0 °C(Predicted)
- Density
- 1.86 · 1.86±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 250 mg/mL · DMSO: ≥ 250 mg/mL (671.95 mM)
- form
- Solid
- pka
- 4.79 · 4.79±0.48(Predicted)
- color
- White to off-white
- FDA UNII
- 6 PL3DO2B30 · 6PL3DO2B30
- WGK Germany
- 3 · 3
- RTECS
- 8800000 · SM8800000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- rtecs
- SM8800000
Chemistry & industry
Applications
UsesBithionol sulfoxide is an anti-infection agent for parasites. Bithionol sulfoxide has mutagenic activity. Bithionol sulfoxide can be used in the research of parasite infection, such as paragonimiasis, flukes andcestodes infection[1][2][5].
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Compound notes
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