methanesulfonic acid,3-methylsulfonyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide structure
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Common Name | methanesulfonic acid,3-methylsulfonyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide | ||
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| CAS Number | 74667-81-5 | Molecular Weight | 582.73100 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C21H30N2O9S4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | methanesulfonic acid,3-methylsulfonyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide |
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| Synonym | More Synonyms |
| Molecular Formula | C21H30N2O9S4 |
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| Molecular Weight | 582.73100 |
| Exact Mass | 582.08300 |
| PSA | 219.57000 |
| LogP | 5.14200 |
| InChIKey | DHBXDPAMTUXDKX-UHFFFAOYSA-N |
| SMILES | CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)c1ccc2c(c1)C(N1CCNCC1)Cc1ccccc1S2=O |
| 3-methylsulfonyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide |
| Piperazine,1-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-,S-oxide,methanesulfonate,hydrate (2:4:1) |