Thioxanthene, 2,7-dibromo-9-(3-(dimethylamino)propylidene)-, hydrochloride
Basic information
- CAS
63869-72-7- Standard SMILES
CN(C)CCC=C1c2cc(Br)ccc2Sc2ccc(Br)cc21.Cl- InChIKey
WPRUOIPXURAXBE-UHFFFAOYSA-N- Molecular formula
- C18H18Br2ClNS
- Average molar mass
- 475.7 g/mol
- Monoisotopic mass
- 472.92152
Names & identifiers
- Preferred name
- Thioxanthene, 2,7-dibromo-9-(3-(dimethylamino)propylidene)-, hydrochloride
- IUPAC
- 3-(2,7-dibromothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
Names & synonyms
N 785Thioxanthene, 2,7-dibromo-9-(3-(dimethylamino)propylidene)-, hydrochloride63869-72-7DTXSID102133662,7-Dibromo-9-(3-(dimethylamino)propylidene)thioxanthene, hydrochlorideRefChem:385541DTXCID101358573-(2,7-Dibromo-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
63869-72-7- PubChem CID
- 3047985
- DTXSID
DTXSID10213366
Properties
Computed structural properties
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 384
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Compound notes
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