Basic information
- CAS
61015-57-4- Standard SMILES
CS(=O)c1ccc2c(c1)C(N1CCN(CCO)CC1)Cc1ccccc1S2.Cl.Cl- InChIKey
DZJUVMQGJGJQJW-UHFFFAOYSA-N- Molecular formula
- C21H28Cl2N2O2S2
- Average molar mass
- 475.5 g/mol
- Monoisotopic mass
- 474.0969259
Names & identifiers
- Preferred name
- 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1)
- IUPAC
- 2-[4-(3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol;dihydrochloride
Names & synonyms
VUFB10,0531-Piperazineethanol, 4-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1)61015-57-4RefChem:233699DTXSID209765112-{4-[8-(Methanesulfinyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazin-1-yl}ethan-1-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
61015-57-4- PubChem CID
- 3045673
- DTXSID
DTXSID20976511
Properties
Computed structural properties
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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