Mls003171335
Basic information
- CAS
86456-05-5- Standard SMILES
COc1ccc2sc3cccc(NCCN(C)C)c3c(=O)c2c1- InChIKey
LXACNBOGQYSBSG-UHFFFAOYSA-N- Molecular formula
- C18H20N2O2S
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.12454906
Names & identifiers
- Preferred name
- Mls003171335
- IUPAC
- 1-[2-(dimethylamino)ethylamino]-7-methoxythioxanthen-9-one
Names & synonyms
MLS00317133586456-05-5DTXSID60321440RefChem:357355DTXCID20272560NSC375387CHEMBL1888857SCHEMBL10998582LXACNBOGQYSBSG-UHFFFAOYSA-NNSC-375387SMR0018752361-(2-dimethylaminoethylamino)-7-methoxythioxanthenone
Show more names
1-{[2-(Dimethylamino)ethyl]amino}-7-methoxy-9H-thioxanthen-9-one
Database identifiers
- CAS
86456-05-5- PubChem CID
- 341816
- DTXSID
DTXSID60321440- ChEMBL
CHEMBL1888857
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 418
Related reactions
1 records
Compound notes
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