4-(2-(2-Phenoxathiinyl)ethanethioyl)morpholine
Basic information
- Standard SMILES
S=C(Cc1ccc2c(c1)Sc1ccccc1O2)N1CCOCC1- InChIKey
LOEGMKXYDOIJSI-UHFFFAOYSA-N- Molecular formula
- C18H17NO2S2
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.07007113
Names & identifiers
- Preferred name
- 4-(2-(2-Phenoxathiinyl)ethanethioyl)morpholine
- IUPAC
- 1-morpholin-4-yl-2-phenoxathiin-2-ylethanethione
Names & synonyms
NSC691893CHEMBL1975333NSC-691893NCI60_0329991-morpholino-2-phenoxathiin-2-yl-ethanethione4-(2-(2-Phenoxathiinyl)ethanethioyl)morpholine
Database identifiers
- PubChem CID
- 392078
- ChEMBL
CHEMBL1975333
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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