Basic information
- CAS
69226-06-8- Standard SMILES
CCC1(CC)SCCNC1=O- InChIKey
PERBLUYSNRUQEQ-UHFFFAOYSA-N- Molecular formula
- C8H15NOS
- Average molar mass
- 173.28 g/mol
- Monoisotopic mass
- 173.08743528
Names & identifiers
- Preferred name
- 3-Thiomorpholinone, 2,2-diethyl-
- IUPAC
- 2,2-diethylthiomorpholin-3-one
Names & synonyms
3-Thiomorpholinone, 2,2-diethyl-69226-06-8DTXSID90219265RefChem:1068826DTXCID10141756MLS0026385642,2-diethylthiomorpholin-3-one2,2-Diethyl-3-thiomorpholinoneBRN 0119577NSC176233-Thiomorpholinone,2-diethyl-CHEMBL1892261
Show more names
HMS3093L21NSC 17623NSC-17623SMR001548037
Database identifiers
- CAS
69226-06-8- PubChem CID
- 95099
- DTXSID
DTXSID90219265- ChEMBL
CHEMBL1892261
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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