1-(1,1-Dioxido-4-thiomorpholinyl)ethylphosphonic acid
Basic information
- CAS
78405-93-3- Standard SMILES
CC(N1CCS(=O)(=O)CC1)P(=O)(O)O- InChIKey
MVPSEUQMCPAXQM-UHFFFAOYSA-N- Molecular formula
- C6H14NO5PS
- Average molar mass
- 243.22 g/mol
- Monoisotopic mass
- 243.03303072
Names & identifiers
- Preferred name
- 1-(1,1-Dioxido-4-thiomorpholinyl)ethylphosphonic acid
- IUPAC
- 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethylphosphonic acid
Names & synonyms
78405-93-31-(1,1-Dioxido-4-thiomorpholinyl)ethylphosphonic acidNSC362442NSC 3624421-(1,1-dioxo-1,4-thiazinan-4-yl)ethylphosphonic acidNSC-362442
Database identifiers
- CAS
78405-93-3- PubChem CID
- 338722
Properties
Computed structural properties
- XLogP
- -4.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 328
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Compound notes
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