1-(2-Fluoroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea
Basic information
- CAS
33021-90-8- Standard SMILES
O=C(NCCF)NC1CS(=O)(=O)CS(=O)(=O)C1- InChIKey
MHQIOFZDWLLDFT-UHFFFAOYSA-N- Molecular formula
- C7H13FN2O5S2
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.02499203
Names & identifiers
- Preferred name
- 1-(2-Fluoroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea
- IUPAC
- 1-(2-fluoroethyl)-3-(1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea
Names & synonyms
33021-90-81-(2-fluoroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)ureaNSC136899DTXSID60300412NSC-136899N-(2-Fluoroethyl)-N'-(1,1,3,3-tetraoxo-1lambda~6~,3lambda~6~-dithian-5-yl)urea
Database identifiers
- CAS
33021-90-8- PubChem CID
- 282833
- DTXSID
DTXSID60300412
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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