AC1MI5HU
3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol;dihydrochloride
Also Known As: 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1)|3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol dihydrochloride|3-{4-[8-(Methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-1-oxo-1lambda~5~-piperazin-1-yl}propan-1-ol--hydrogen chloride (1/2)
| Molecular Formula | C22H30Cl2N2O2S2 |
|---|---|
| Molecular Weight | 488.11258 g/mol |
| LogP | 5.0131 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.11258 |
| Monoisotopic Mass | 488.11258 |
| Heavy Atoms | 30 |
| Complexity | 832.53485 |
Chemical Identifiers
| CAS Number | 41932-06-3 |
|---|---|
| SMILES | CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CC[N+](CC4)(CCCO)[O-].Cl.Cl |
Product Overview
AC1MI5HU (CAS 41932-06-3), with molecular formula C22H30Cl2N2O2S2 and molecular weight 488.11258 g/mol. IUPAC: 3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol;dihydrochloride.
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