Introduction：Basic information about CAS 844-26-8|Bithionol (sulfoxide), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Bithionol (sulfoxide) |
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| CAS Number | 844-26-8 | Molecular Weight | 372.05100 |
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| Density | 1.86 g/cm3 | Boiling Point | 532.7ºC at 760 mmHg |
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| Molecular Formula | C12H6Cl4O3S | Melting Point | / |
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| MSDS | / | Flash Point | 276ºC |
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Names
| Name | 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfinylphenol |
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| Synonym | More Synonyms |
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Bithionol (sulfoxide) BiologicalActivity
| Description | Bithionol sulfoxide(Bitin-S) is a clinically approved anti-parasitic drug; has been shown to inhibit solid tumor growth in several preclinical cancer models.IC50 value:Target: anticaner agentBithionol caused dose dependent cytotoxicity against all ovarian cancer cell lines tested with IC50 values ranging from 19 μM - 60 μM. BT treatment resulted in cell cycle arrest at G1/M phase and increased ROS generation [1]. Both bithionol and bithionol sulphoxide demonstrated in vitro toxicity to Neoparamoeba spp. at all concentrations examined (0.1 to 10 mg l(-1) over 72 h), with a comparable toxicity to freshwater observed for both chemicals at concentrations > 5 mg l(-1) following a 72 h treatment [2]. |
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| Related Catalog | Signaling Pathways >>Anti-infection >>ParasiteResearch Areas >>Cancer |
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| References | [1]. Ayyagari VN, et al. Bithionol inhibits ovarian cancer cell growth in vitro - studies on mechanism(s) of action. BMC Cancer. 2014 Feb 4;14:61. [2]. Florent RL, et al. In vitro toxicity of bithionol and bithionol sulphoxide to Neoparamoeba spp., the causative agent of amoebic gill disease (AGD). Dis Aquat Organ. 2010 Sep 17;91(3):257-62. |
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Chemical & Physical Properties
| Density | 1.86 g/cm3 |
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| Boiling Point | 532.7ºC at 760 mmHg |
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| Molecular Formula | C12H6Cl4O3S |
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| Molecular Weight | 372.05100 |
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| Flash Point | 276ºC |
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| Exact Mass | 369.87900 |
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| PSA | 76.74000 |
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| LogP | 5.74380 |
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| Index of Refraction | 1.769 |
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| InChIKey | RPAJWWXZIQJVJF-UHFFFAOYSA-N |
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| SMILES | O=S(c1cc(Cl)cc(Cl)c1O)c1cc(Cl)cc(Cl)c1O |
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| Storage condition | 2-8℃ |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- SM8800000
- CHEMICAL NAME :
- Phenol, 2,2'-sulfinylbis(4,6-dichloro-
- CAS REGISTRY NUMBER :
- 844-26-8
- BEILSTEIN REFERENCE NO. :
- 2003972
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C12-H6-Cl4-O3-S
- MOLECULAR WEIGHT :
- 372.04
- WISWESSER LINE NOTATION :
- QR BG DG FSO&R BQ CG EG
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 10 ug/plate
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 188,53,1987
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Safety Information
Customs
| HS Code | 2930909090 |
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| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| Sulphene |
| bithionol sulfoxide |
| Bithionoloxide |
| 4,6,4',6'-tetrachloro-2,2'-sulfinyl-di-phenol |
| Disto-5-cogla |
| Bitionoloxido [Spanish] |
| Bithionoloxide [INN] |
| 2,2'-sulfinyl-bis(4,6-dichlorophenol) |
| Bitin S |
| Distobitin |
| Bis-(3,5-dichlor-2-hydroxyphenyl)sulfoxid |
| Bis-(3.5-dichlor-2-hydroxy-phenyl)-sulfoxyd |
| Bithionoloxidum [Latin] |
| 4,6,4',6'-Tetrachlor-2,2'-sulfinyl-di-phenol |
| Bithionol (sulfoxide) |
