1-((2-(Diethylamino)ethyl)amino)-4-methoxy-9H-thioxanthen-9-one
Basic information
- CAS
73909-11-2- Standard SMILES
CCN(CC)CCNc1ccc(OC)c2sc3ccccc3c(=O)c12- InChIKey
FMJDWWAXDFAUJH-UHFFFAOYSA-N- Molecular formula
- C20H24N2O2S
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.15584919
Names & identifiers
- Preferred name
- 1-((2-(Diethylamino)ethyl)amino)-4-methoxy-9H-thioxanthen-9-one
- IUPAC
- 1-[2-(diethylamino)ethylamino]-4-methoxythioxanthen-9-one
Names & synonyms
73909-11-2Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-methoxy-R2NKM9D3CNNSC 302338BRN 0337482UNII-R2NKM9D3CNNSC-302338(1-((2'-Diethylamino)ethyl)amino)-4-methoxythioxanthenone1-((2-(Diethylamino)ethyl)amino)-4-methoxythioxanthen-9-oneDTXSID90224495Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-4-methoxy-9H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-methoxy-
Show more names
5-18-12-00065 (Beilstein Handbook Reference)1-((2-(Diethylamino)ethyl)amino)-4-methoxy-9H-thioxanthen-9-one[1-[(2'-Diethylamino)ethyl]amino]-4-methoxythioxanthenone1-{[2-(diethylamino)ethyl]amino}-4-methoxy-9H-thioxanthen-9-one9H-Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-4-methoxy-RefChem:196879DTXCID901469869H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-methoxy-(9CI)
Database identifiers
- CAS
73909-11-2- PubChem CID
- 72748
- DTXSID
DTXSID90224495- ChEMBL
CHEMBL74831- UNII
- R2NKM9D3CN
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 443
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Compound notes
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