Basic information
- CAS
24240-65-1- Standard SMILES
O=[N+]([O-])c1cnc(N=C2OCCN2CCO)s1- InChIKey
KOPIRKLPVHIQML-UHFFFAOYSA-N- Molecular formula
- C8H10N4O4S
- Average molar mass
- 258.26 g/mol
- Monoisotopic mass
- 258.04227599
Names & identifiers
- Preferred name
- 2-{2-[(5-Nitro-1,3-thiazol-2-yl)imino]-1,3-oxazolidin-3-yl}ethan-1-ol
- IUPAC
- 2-[2-[(5-nitro-1,3-thiazol-2-yl)imino]-1,3-oxazolidin-3-yl]ethanol
Names & synonyms
DTXSID808791552-{2-[(5-nitro-1,3-thiazol-2-yl)imino]-1,3-oxazolidin-3-yl}ethan-1-ol
Database identifiers
- CAS
24240-65-1- PubChem CID
- 91152
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 321
Experimental & physicochemical properties
LogP0.43
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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