Dothiepin sulfoxide
dimethyl-[(3Z)-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium;4-hydroxy-4-oxobutanoate
Also Known As: Dothiepin sulfoxide|6,11-Dihydro-11-(3-(dimethylamino)propylidene)-dibenz(b,e)thiepin 5-oxide succinate|Dibenz(b,e)thiepin, 6,11-dihydro-11-(3-(dimethylamino)propylidene)-, 5-oxide, succinate|6,11-Dihydro-11-(3-(dimethylamino)propylidene)-5-oxyd-dibenz(b,e)thiepin succinat [German]|6,11-Dihydro-11-(3-(dimethylamino)propylidene)-5-oxyd-dibenz(b,e)thiepin succinat|Butanedioic acid, compd. with 3-dibenzo[b,e]thiepin-11(6H)-yl-N,N-dimethyl-1-propanamine S-oxide (1:1)|dimethyl-[(3Z)-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium; 4-hydroxy-4-oxobutanoate|Succinic acid, compd. with N,N-dimethyldibenzo[b,e]thiepin-.delta.11(6H),.gamma.-propylamine 5-oxide (1:1)
| Molecular Formula | C23H27NO5S |
|---|---|
| Molecular Weight | 429.16098 g/mol |
| LogP | 0.8752 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.16098 |
| Monoisotopic Mass | 429.16098 |
| Heavy Atoms | 30 |
| Complexity | 938.11456 |
Chemical Identifiers
| CAS Number | 749-48-4 |
|---|---|
| SMILES | C[NH+](C)CC/C=C\1/C2=CC=CC=C2CS(=O)C3=CC=CC=C31.C(CC(=O)[O-])C(=O)O |
Product Overview
Dothiepin sulfoxide (CAS 749-48-4), with molecular formula C23H27NO5S and molecular weight 429.16098 g/mol. IUPAC: dimethyl-[(3Z)-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium;4-hydroxy-4-oxobutanoate.