Hydrothiadene hydrochloride hemihydrate
3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethylazanium chloride
| Molecular Formula | C19H24ClNS |
|---|---|
| Molecular Weight | 333.9 g/mol |
| Topological Polar Surface Area | 29.7 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.1318 |
| Heavy Atoms | 22 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 846-54-8 |
|---|---|
| SMILES | C[NH+](C)CCCC1C2=CC=CC=C2CSC3=CC=CC=C13.[Cl-] |
| InChIKey | JUTSOXJHGGRSDY-UHFFFAOYSA-N |
📖 Product Overview
Hydrothiadene hydrochloride hemihydrate (CAS: 846-54-8) is a chemical compound with molecular formula C19H24ClNS and molecular weight 333.9 g/mol. Its IUPAC systematic name is 3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethylazanium chloride.
JUTSOXJHGGRSDY-UHFFFAOYSA-N.
SMILES: C[NH+](C)CCCC1C2=CC=CC=C2CSC3=CC=CC=C13.[Cl-].
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