3-Thiomorpholinone, 5,5-dimethyl-2-propyl-
Basic information
- CAS
69226-14-8- Standard SMILES
CCCC1SCC(C)(C)NC1=O- InChIKey
FYMIKCFMJOMLNE-UHFFFAOYSA-N- Molecular formula
- C9H17NOS
- Average molar mass
- 187.3 g/mol
- Monoisotopic mass
- 187.10308534
Names & identifiers
- Preferred name
- 3-Thiomorpholinone, 5,5-dimethyl-2-propyl-
- IUPAC
- 5,5-dimethyl-2-propylthiomorpholin-3-one
Names & synonyms
3-Thiomorpholinone, 5,5-dimethyl-2-propyl-69226-14-8RefChem:1068833MLS002638565BRN 01232045,5-Dimethyl-2-propyl-3-thiomorpholinoneNSC17636HMS3093F07NSC 17636NSC-176363-Thiomorpholinone,5-dimethyl-2-propyl-SMR001548038
Database identifiers
- CAS
69226-14-8- PubChem CID
- 95535
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
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Compound notes
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