Basic information
- CAS
3613-13-6- Standard SMILES
CCN(CC)CCNc1ccc(C=O)c2sc3ccccc3c(=O)c12- InChIKey
DRILSYDEPQSKEK-UHFFFAOYSA-N- Molecular formula
- C20H22N2O2S
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.14019894
Names & identifiers
- Preferred name
- 9H-Thioxanthene-4-carboxaldehyde, 1-[[2-(diethylamino)ethyl]amino]-9-oxo-
- IUPAC
- 1-[2-(diethylamino)ethylamino]-9-oxothioxanthene-4-carbaldehyde
- English name
- 9H-Thioxanthene-4-carboxaldehyde,1-[[2-(diethylamino)ethyl]amino]-9-oxo-
- Molecular formula
- C20H22N2O2S
- Molecular weight
- 354.47
Names & synonyms
3613-13-69H-Thioxanthene-4-carboxaldehyde, 1-[[2-(diethylamino)ethyl]amino]-9-oxo-Hycanthone 4-aldehydeHycanthone aldehyde1-((2-(Diethylamino)ethyl)amino)-9-oxo-9H-thioxanthene-4-carbaldehyde2G76WPX13HNSC-1663671-[2-(diethylamino)ethylamino]-9-oxothioxanthene-4-carbaldehyde9H-Thioxanthene-4-carboxaldehyde, 1-((2-(diethylamino)ethyl)amino)-9-oxo-UNII-2G76WPX13H1-{[2-(diethylamino)ethyl]amino}-9-oxo-9H-thioxanthene-4-carbaldehydeNSC166367
Show more names
1-(2-DIETHYLAMINO-ETHYLAMINO)-9-OXO-9H-THIOXANTHENE-4-CARBALDEHYDE9H-Thioxanthene-4-carboxaldehyde,1-[[2-(diethylamino)ethyl]amino]-9-oxo-
NSC 166367HYCANTHONE-4-ALDEHYDESCHEMBL6556493DTXSID40189702DRILSYDEPQSKEK-UHFFFAOYSA-NMFCD20269509WIN-25315AS-79887
Database identifiers
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 469
Physicochemical properties
- Melting point
- 119.4 · 119.4-120.6 °C
- Boiling point
- 557.1 · 557.1±50.0 °C(Predicted)
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- pka
- 9.97 · 9.97±0.25(Predicted)
- FDA UNII
- 2 G76WPX13H · 2G76WPX13H
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
3 records
Compound notes
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