AI 3-52793
Basic information
- CAS
32319-90-7- Standard SMILES
O=NN(CCF)C(=O)NC1CCSCC1- InChIKey
RASQWFNMYUIFFE-UHFFFAOYSA-N- Molecular formula
- C8H14FN3O2S
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.07907603
Names & identifiers
- Preferred name
- AI 3-52793
- IUPAC
- 1-(2-fluoroethyl)-1-nitroso-3-(thian-4-yl)urea
- English name
- 1-(2-Fluoroethyl)-1-nitroso-3-(tetrahydro-2H-thiopyran-4-yl)urea
- Molecular formula
- C8H14FN3O2S
- Molecular weight
- 235.28
Names & synonyms
32319-90-71-(2-Fluoroethyl)-1-nitroso-3-(tetrahydro-2H-thiopyran-4-yl)ureaAI 3-52793NSC 114459BRN 1382265AI3-52793Urea, N-(2-fluoroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)-DTXSID40186054Urea, 1-(2-fluoroethyl)-1-nitroso-3-(tetrahydro-2H-thiopyran-4-yl)-RefChem:317842DTXCID50108545Urea, N-(2-fluoroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)-(9CI)
Show more names
NSC-114459NSC114459UVP9XZ4GVYCHEMBL12509NCI60_000326N-(2-Fluoroethyl)-N-nitroso-N'-(thian-4-yl)ureaN-(2-Fluoroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea
Database identifiers
- CAS
32319-90-7- PubChem CID
- 97301
- DTXSID
DTXSID40186054- ChEMBL
CHEMBL12509- UNII
- UVP9XZ4GVY
- Nikkaji
- J54.443D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
LogP1.43
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Compound notes
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