Basic information
- CAS
33021-89-5- Standard SMILES
O=C(NCCF)NC1CSCSC1- InChIKey
VTDNGYCVOFNHDO-UHFFFAOYSA-N- Molecular formula
- C7H13FN2OS2
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.04533355
Names & identifiers
- Preferred name
- 1-(1,3-Dithian-5-yl)-3-(2-fluoroethyl)urea
- IUPAC
- 1-(1,3-dithian-5-yl)-3-(2-fluoroethyl)urea
Names & synonyms
33021-89-5NSC132084DTXSID80954638NSC-132084N-(1,3-Dithian-5-yl)-N'-(2-fluoroethyl)carbamimidic acidN-1,3-Dithian-5-yl-N'-(2-fluoroethyl)carbamimidic acid
Database identifiers
- CAS
33021-89-5- PubChem CID
- 280447
- DTXSID
DTXSID80954638
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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