RefChem:1083323
dimethyl-[(3Z)-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: cis-Prothiadene-S-oxide hydrogen maleate|cis-11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin 5-oxide hydrogen maleate|Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N-dimethyl-, 5-oxide, maleate (1:1), (Z)-|DIBENZO(b,e)THIEPIN-delta(sup 11(6H),gamma)-PROPYLAMINE, N,N-DIMETHYL-, 5-OXIDE,|dimethyl-[(3Z)-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C23H25NO5S |
|---|---|
| Molecular Weight | 427.14536 g/mol |
| LogP | 0.6512 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.14536 |
| Monoisotopic Mass | 427.14536 |
| Heavy Atoms | 30 |
| Complexity | 978.5929 |
Chemical Identifiers
| CAS Number | 25627-41-2 |
|---|---|
| SMILES | C[NH+](C)CC/C=C\1/C2=CC=CC=C2CS(=O)C3=CC=CC=C31.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1083323 (CAS 25627-41-2), with molecular formula C23H25NO5S and molecular weight 427.14536 g/mol. IUPAC: dimethyl-[(3Z)-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.