Introduction：Basic information about CAS 41931-98-0|3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl], including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol |
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| CAS Number | 41931-98-0 | Molecular Weight | 432.59900 |
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| Density | 1.41 g/cm3 | Boiling Point | 652.7ºC at 760 mmHg |
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| Molecular Formula | C22H28N2O3S2 | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | 3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.41 g/cm3 |
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| Boiling Point | 652.7ºC at 760 mmHg |
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| Molecular Formula | C22H28N2O3S2 |
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| Molecular Weight | 432.59900 |
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| Exact Mass | 432.15400 |
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| PSA | 99.27000 |
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| LogP | 3.79510 |
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| Index of Refraction | 1.72 |
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| InChIKey | WARRSOBQHUTGSP-UHFFFAOYSA-N |
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| SMILES | CS(=O)c1ccc2c(c1)C(N1CCN(CCCO)CC1)Cc1ccccc1S2=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TM2668600
- CHEMICAL NAME :
- 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepi n-10-yl)-, S-oxide
- CAS REGISTRY NUMBER :
- 41931-98-0
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C22-H28-N2-O3-S2
- MOLECULAR WEIGHT :
- 432.64
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 380 mg/kg
- TOXIC EFFECTS :
- Behavioral - ataxia
- REFERENCE :
- CCCCAK Collection of Czechoslovak Chemical Communications. (Academic Press Inc. Ltd., 24-28 Oval Rd., London NW1 7DX, UK) V.1- 1929- Volume(issue)/page/year: 45,504,1980
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Synonyms
| 4-(10,11-Dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol S-oxide |
| Oxyprothepin 5,8-disulfide |
| AC-6793 |
| 8-Methansulfinyl-10-<4-(3-hydroxypropyl)piperazin>-10,11-dihydrodibenzo<b,f>thiepin-5-oxid |
| 1-Piperazinepropanol,4-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-,S-oxide |
