Introduction：Basic information about CAS 2667-89-2|Bisbentiamine disulfide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Bisbentiamine disulfide |
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| CAS Number | 2667-89-2 | Molecular Weight | 770.92000 |
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| Density | 1.331g/cm3 | Boiling Point | 987.4ºC at 760mmHg |
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| Molecular Formula | C38H42N8O6S2 | Melting Point | 140-145ºC |
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| MSDS | / | Flash Point | 551ºC |
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Names
| Name | Bisbentiamine |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.331g/cm3 |
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| Boiling Point | 987.4ºC at 760mmHg |
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| Melting Point | 140-145ºC |
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| Molecular Formula | C38H42N8O6S2 |
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| Molecular Weight | 770.92000 |
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| Flash Point | 551ºC |
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| Exact Mass | 770.26700 |
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| PSA | 247.42000 |
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| LogP | 8.43760 |
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| Vapour Pressure | 0mmHg at 25°C |
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| Index of Refraction | 1.654 |
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| InChIKey | IWXAZSAGYJHXPX-LYWFMZLMSA-N |
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| SMILES | CC(=C(CCOC(=O)c1ccccc1)SSC(CCOC(=O)c1ccccc1)=C(C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- LQ2720000
- CHEMICAL NAME :
- Formamide, N,N'-(dithiobis(2-(2-hydroxyethyl)-1-methylvinylene)) bis(N-((4-amino-2-met hyl- 5-pyrimidinyl)methyl)-, dibenzoate (ester)
- CAS REGISTRY NUMBER :
- 2667-89-2
- BEILSTEIN REFERENCE NO. :
- 0741598
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C38-H42-N8-O6-S2
- MOLECULAR WEIGHT :
- 771.00
- WISWESSER LINE NOTATION :
- T6N CNJ B1 DZ E1NVHY1&UY2OVR&SSY2OVR&UY1&NVH1- ET6N CNJ B1 DZ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 9 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,609,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 194 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,609,1982
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Synonyms
| BENZOYLTHIAMINEDISULPHIDE |
| bis(o-benzoylthiamine)disulfide |
| bisbenthiamine |
| O-benzoylthiamine disulfide |
| BISBENTIAMINE DISULFIDE |
| beprocin |
| beston |
| Thiamindisulfid-monosulfoxid-O-benzoylester |
| O-Benzoylthiamindisulfid |
| Bisbentiamin |
| dibenzoate(ester) |
| N,N'-bis-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N,N'-[2,5-bis-(2-benzoyloxy-ethyl)-1,6-dimethyl-3,4-dithia-hexa-1,5-diene-1,6-diyl]-bis-formamide |
| benzoylthiaminedisulfide |
| btds |
