9-Thioxanthenone, 3-methoxy-4-(dimethylaminomethyl)-, hydrochloride
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Basic information
- CAS
29483-51-0- Standard SMILES
COc1ccc2c(=O)c3ccccc3sc2c1CN(C)C.Cl- InChIKey
GFTJAXNUAXKYQT-UHFFFAOYSA-N- Molecular formula
- C17H18ClNO2S
- Average molar mass
- 335.8 g/mol
- Monoisotopic mass
- 335.0746777
Names & identifiers
- Preferred name
- 9-Thioxanthenone, 3-methoxy-4-(dimethylaminomethyl)-, hydrochloride
- IUPAC
- 4-[(dimethylamino)methyl]-3-methoxythioxanthen-9-one;hydrochloride
- English name
- 9-Thioxanthenone, 3-methoxy-4-(dimethylaminomethyl)-, hydrochloride
- Molecular weight
- 0
Names & synonyms
9-Thioxanthenone, 3-methoxy-4-(dimethylaminomethyl)-, hydrochloride3-Methoxy-4-(dimethylaminomethyl)thioxanthone hydrochloride29483-51-0DTXSID40183684RefChem:313318DTXCID80106175SCHEMBL42089234-[(Dimethylamino)methyl]-3-methoxy-9H-thioxanthen-9-one--hydrogen chloride (1/1)
Database identifiers
- CAS
29483-51-0- PubChem CID
- 207246
- DTXSID
DTXSID40183684
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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