Basic information
- CAS
34667-48-6- Standard SMILES
CCN(CC)CCNc1cc2c(c3c(=O)c4ccccc4sc13)CCCC2- InChIKey
LXYBVOFUECNXGB-UHFFFAOYSA-N- Molecular formula
- C23H28N2OS
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.19223469
Names & identifiers
- Preferred name
- 4-(beta-Diethylaminoethylamino)-1,2-cyclohexenothiaxanthone
- IUPAC
- 6-[2-(diethylamino)ethylamino]-1,2,3,4-tetrahydrobenzo[a]thioxanthen-12-one
- English name
- 4-(beta-diethylaminoethylamino)-1,2-cyclohexenothiaxanthone
- Molecular formula
- C23H28N2OS
- Molecular weight
- 380.54622
Names & synonyms
DCHTX34667-48-6BKQ7SAE3HS4-(beta-Diethylaminoethylamino)-1,2-cyclohexenothiaxanthoneNSC-20893212H-Benzo(a)thioxanthen-12-one, 6-((2-(diethylamino)ethyl)amino)-1,2,3,4-tetrahydro-DTXSID701882234-(2-Diethylaminoethylamino)-1,2-cyclohexanothioxanthone4-(beta-Diethylaminoethylamino)-1,2-cyclohexanothiozanthone1,2-Cyclohexeno, 4-(beta-diethylaminoethylamino)-thiaxanthoneRefChem:97357DTXCID00110714
Show more names
NSC2089326-{[2-(Diethylamino)ethyl]amino}-1,2,3,4-tetrahydro-12H-benzo[a]thioxanthen-12-one6-((2-(DIETHYLAMINO)ETHYL)AMINO)-1,2,3,4-TETRAHYDRO-12H-BENZO(A)THIOXANTHEN-12-ONENSC 208932UNII-BKQ7SAE3HS6-(2-diethylaminoethylamino)-1,2,3,4-tetrahydrobenzo[a]thioxanthen-12-one
Database identifiers
- CAS
34667-48-6- PubChem CID
- 72773
- DTXSID
DTXSID70188223
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
Physicochemical properties
- FDA UNII
- 7 SAE3HS · BKQ7SAE3HS
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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