Basic information
- CAS
101692-33-5- Standard SMILES
O=C1N=CCN1c1ncc([N+](=O)[O-])s1- InChIKey
FDKRNBMDPFLDML-UHFFFAOYSA-N- Molecular formula
- C6H4N4O3S
- Average molar mass
- 212.19 g/mol
- Monoisotopic mass
- 212.00041118
Names & identifiers
- Preferred name
- 3-Imidazolin-2-one, 1-(5-nitro-2-thiazolyl)-
- IUPAC
- 3-(5-nitro-1,3-thiazol-2-yl)-4H-imidazol-2-one
Names & synonyms
3-IMIDAZOLIN-2-ONE, 1-(5-NITRO-2-THIAZOLYL)-101692-33-5Dehydroniridazole1-(5-Nitro-2-thiazolyl)-3-imidazolin-2-oneDTXSID501441251-(5-Nitro-1,3-thiazol-2-yl)-1,5-dihydro-2H-imidazol-2-one
Database identifiers
- CAS
101692-33-5- PubChem CID
- 58735
- DTXSID
DTXSID50144125- Nikkaji
- J67.777I
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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