9H-Thioxanthen-9-one, 1-[[2-[(2-hydroxyethyl)amino]ethyl]amino]-4-methyl-
Basic information
- CAS
69895-71-2- Standard SMILES
Cc1ccc(NCCNCCO)c2c(=O)c3ccccc3sc12- InChIKey
QDICDDBHUNGLMP-UHFFFAOYSA-N- Molecular formula
- C18H20N2O2S
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.12454906
Names & identifiers
- Preferred name
- 9H-Thioxanthen-9-one, 1-[[2-[(2-hydroxyethyl)amino]ethyl]amino]-4-methyl-
- IUPAC
- 1-[2-(2-hydroxyethylamino)ethylamino]-4-methylthioxanthen-9-one
Names & synonyms
NSC29665169895-71-2NSC205291-({2-[(2-Hydroxyethyl)amino]ethyl}amino)-4-methyl-9H-thioxanthen-9-oneCHEMBL3247370DTXSID203157299H-Thioxanthen-9-one, 1-[[2-[(2-hydroxyethyl)amino]ethyl]amino]-4-methyl-NSC-2966511-[2-(2-hydroxyethylamino)ethylamino]-4-methyl-thioxanthen-9-one
Database identifiers
- CAS
69895-71-2- PubChem CID
- 326189
- DTXSID
DTXSID20315729- ChEMBL
CHEMBL3247370
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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