2-Chloro-9-[3-(diethylamino)propylidene]thioxanthene, hydrochloride

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Basic information

CAS: 4944-43-8
Standard SMILES: CCN(CC)CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21.Cl
InChIKey: KAOCXSCLWBHDJH-QOVZSLTQSA-N
Molecular formula: C20H23Cl2NS
Average molar mass: 380.4 g/mol
Monoisotopic mass: 379.0928263

Names & identifiers

Preferred name: 2-Chloro-9-[3-(diethylamino)propylidene]thioxanthene, hydrochloride
IUPAC: (3E)-3-(2-chlorothioxanthen-9-ylidene)-N,N-diethylpropan-1-amine;hydrochloride

Names & synonyms

NSC849882-Chloro-9-[3-(diethylamino)propylidene]thioxanthene, hydrochlorideNSC-84988WLN: T C666 BS IYJ FG IU3N2&2 &GHThioxanthene-.DELTA.9, 2-chloro-N,N-diethyl-, hydrochloride, cis-

Database identifiers

CAS: 4944-43-8
PubChem CID: 6504516

Properties

Computed structural properties

Topological polar surface area: 28.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 406

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Compound notes

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