Basic information
- CAS
33024-47-4- Standard SMILES
O=NN(CCF)C(=O)NC1CSCSC1- InChIKey
PRVVGOHCHSLWDE-UHFFFAOYSA-N- Molecular formula
- C7H12FN3O2S2
- Average molar mass
- 253.3 g/mol
- Monoisotopic mass
- 253.03549714
Names & identifiers
- Preferred name
- Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso-
- IUPAC
- 3-(1,3-dithian-5-yl)-1-(2-fluoroethyl)-1-nitrosourea
- English name
- 1-(1,3-Dithian-5-yl)-3-(2-fluoroethyl)-3-nitrosourea
- Molecular weight
- 0
Names & synonyms
33024-47-4Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-BRN 1432135NSC 132,0851-(m-Dithian-5-yl)-3-(2-fluoroethyl)-3-nitrosourea3-(m-Dithian-5-yl)-1-(2-fluoroethyl)-1-nitrosoureaN'-1,3-Dithian-5-yl-N-(2-fluoroethyl)-N-nitrosoureaUrea, 1-(m-dithian-5-yl)-3-(2-fluoroethyl)-3-nitroso-3-(5-(1,3)-Dithiacyclohexyl)-1-(2-fluoroethyl)-1-nitrosoureaDTXSID401866905-19-08-00349 (Beilstein Handbook Reference)Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso-
Show more names
N'-(1,3-Dithian-5-yl)-N-(2-fluoroethyl)-N-nitrosourea
RefChem:387707DTXCID80109181Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso-(9CI)1-(1,3-Dithian-5-yl)-3-(2-fluoroethyl)-3-nitrosourea3-(1,3-dithian-5-yl)-1-(2-fluoroethyl)-1-nitrosoureaNSC132085NSC-132085CHEMBL12519
Database identifiers
- CAS
33024-47-4- PubChem CID
- 97553
- DTXSID
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 226
Experimental & physicochemical properties
LogP1.54
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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