9-Thioxanthenone, 3-methoxy-4-(diethylaminomethyl)-, hydrochloride
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Basic information
- CAS
29483-53-2- Standard SMILES
CCN(CC)Cc1c(OC)ccc2c(=O)c3ccccc3sc12.Cl- InChIKey
PHCSABXEUYBWGT-UHFFFAOYSA-N- Molecular formula
- C19H22ClNO2S
- Average molar mass
- 363.9 g/mol
- Monoisotopic mass
- 363.1059778
Names & identifiers
- Preferred name
- 9-Thioxanthenone, 3-methoxy-4-(diethylaminomethyl)-, hydrochloride
- IUPAC
- 4-(diethylaminomethyl)-3-methoxythioxanthen-9-one;hydrochloride
Names & synonyms
9-Thioxanthenone, 3-methoxy-4-(diethylaminomethyl)-, hydrochloride3-Methoxy-4-(diethylaminomethyl)thioxanthone hydrochloride29483-53-2DTXSID00183685RefChem:313317DTXCID40106176SCHEMBL42068564-[(Diethylamino)methyl]-3-methoxy-9H-thioxanthen-9-one--hydrogen chloride (1/1)
Database identifiers
- CAS
29483-53-2- PubChem CID
- 207248
- DTXSID
DTXSID00183685
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 412
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Compound notes
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