Basic information
- CAS
33024-46-3- Standard SMILES
O=NN(CCF)C(=O)NC1CCSc2ccccc21- InChIKey
VPLAJPCKEDNTIT-UHFFFAOYSA-N- Molecular formula
- C12H14FN3O2S
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.07907603
Names & identifiers
- Preferred name
- Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)-
- IUPAC
- 3-(3,4-dihydro-2H-thiochromen-4-yl)-1-(2-fluoroethyl)-1-nitrosourea
- English name
- 1-(2-Fluoroethyl)-1-nitroso-3-(3,4-dihydro-2H-1-benzothiopyran-4-yl)urea
- Molecular weight
- 0
Names & synonyms
33024-46-3Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)-RefChem:11007451-(2-Fluoroethyl)-1-nitroso-3-(3,4-dihydro-2H-1-benzothiopyran-4-yl)ureaNSC 121249BRN 13970493-(3,4-dihydro-2H-thiochromen-4-yl)-1-(2-fluoroethyl)-1-nitrosoureaNSC1212491-(2-Fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)ureaUrea, 3-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(2-fluoroethyl)-1-nitroso-CHEMBL273958DTXSID801384865
Show more names
3-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)-1-(2-fluoroethyl)-1-nitrosourea
NSC-121249DB-258694Urea,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(2-fluoroethyl)-1-nitroso-
Database identifiers
- CAS
33024-46-3- PubChem CID
- 97404
- DTXSID
DTXSID801384865- ChEMBL
CHEMBL273958- Nikkaji
- J48.935B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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