Basic information
- CAS
100609-54-9- Standard SMILES
CCOc1ccccc1C(=S)N1CCOCC1- InChIKey
YFUKAGKJCHXTSE-UHFFFAOYSA-N- Molecular formula
- C13H17NO2S
- Average molar mass
- 251.35 g/mol
- Monoisotopic mass
- 251.09799996
Names & identifiers
- Preferred name
- Morpholine, 4-(o-ethoxythiobenzoyl)-
- IUPAC
- (2-ethoxyphenyl)-morpholin-4-ylmethanethione
Names & synonyms
Morpholine, 4-(o-ethoxythiobenzoyl)-100609-54-94-(o-Ethoxythiobenzoyl)morpholineDTXSID80143429RefChem:357831DTXCID1065920(2-ethoxyphenyl)-morpholin-4-ylmethanethione(2-Ethoxyphenyl)-4-morpholinylmethanethione4-[(2-ethoxyphenyl)carbonothioyl]morpholine(2-ethoxyphenyl)(morpholin-4-yl)methanethioneCHEMBL3753446HMS1593H17
Show more names
STL436454AKOS000348932SR-01000277033SR-01000277033-1
Database identifiers
- CAS
100609-54-9- PubChem CID
- 970600
- DTXSID
DTXSID80143429- ChEMBL
CHEMBL3753446
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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