Basic information
- CAS
64568-29-2- Standard SMILES
C[C@H]1CN(C(=S)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1- InChIKey
OTWDABUDFHHNRI-UWVGGRQHSA-N- Molecular formula
- C13H16N2O3S
- Average molar mass
- 280.34 g/mol
- Monoisotopic mass
- 280.08816355
Names & identifiers
- Preferred name
- Zinc00616405
- IUPAC
- [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione
Names & synonyms
ZINC0061640564568-29-2DTXSID60359602RefChem:388662DTXCID40310655[(2S,6S)-2,6-Dimethylmorpholin-4-yl](4-nitrophenyl)methanethione
Database identifiers
- CAS
64568-29-2- PubChem CID
- 975083
- DTXSID
DTXSID60359602
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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