2-(Beta-diethylaminoethylamino)-3,4-cyclohexenothia-xanthone
Basic information
- CAS
34667-52-2- Standard SMILES
CCN(CC)CCNc1cc2c(=O)c3ccccc3sc2c2c1CCCC2- InChIKey
AINFFKFGHUKSDZ-UHFFFAOYSA-N- Molecular formula
- C23H28N2OS
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.19223469
Names & identifiers
- Preferred name
- 2-(Beta-diethylaminoethylamino)-3,4-cyclohexenothia-xanthone
- IUPAC
- 5-[2-(diethylamino)ethylamino]-1,2,3,4-tetrahydrobenzo[c]thioxanthen-7-one
- English name
- 2-(beta-diethylaminoethylamino)-3,4-cyclohexenothiaxanthone
- Molecular formula
- C23H28N2OS
- Molecular weight
- 380.54622
Names & synonyms
34667-52-22-(beta-Diethylaminoethylamino)-3,4-cyclohexenothiaxanthoneDTXSID301882247H-Benzo(c)thioxanthen-7-one, 5-((2-(diethylamino)ethyl)amino)-1,2,3,4-tetrahydro-2-(Beta-diethylaminoethylamino)-3,4-cyclohexenothia-xanthoneRefChem:84570DTXCID60110715Deaea-chtx5-{[2-(diethylamino)ethyl]amino}-1,2,3,4-tetrahydro-7H-benzo[c]thioxanthen-7-one
Database identifiers
- CAS
34667-52-2- PubChem CID
- 189095
- DTXSID
DTXSID30188224
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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