Morpholine, 4-(2-naphthylthioacetyl)-
Basic information
- CAS
5399-06-4- Standard SMILES
S=C(CN1CCOCC1)c1cccc2ccccc12- InChIKey
KNOXZDXUPYCGGF-UHFFFAOYSA-N- Molecular formula
- C16H17NOS
- Average molar mass
- 271.4 g/mol
- Monoisotopic mass
- 271.10308534
Names & identifiers
- Preferred name
- Morpholine, 4-(2-naphthylthioacetyl)-
- IUPAC
- 2-morpholin-4-yl-1-naphthalen-1-ylethanethione
Names & synonyms
NSC 3754Morpholine, 4-(2-naphthylthioacetyl)-BRN 0216145Morpholine, 4-(2-(2-naphthalenyl)-1-thioxoethyl)-4-27-00-00286 (Beilstein Handbook Reference)RefChem:357710Morpholine, 4-(2-(2-naphthalenyl)-1-thioxoethyl)-(9CI)5399-06-4
Database identifiers
- CAS
5399-06-4- PubChem CID
- 79389
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
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Compound notes
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