Basic information
- CAS
98189-46-9- Standard SMILES
CC1(C)C(c2cccs2)=[N+]([O-])C(C)(C)N1[O]- InChIKey
YXWSEDSBXZLPQP-UHFFFAOYSA-N- Molecular formula
- C11H15N2O2S
- Average molar mass
- 239.32 g/mol
- Monoisotopic mass
- 239.0854239
Overview
a nitronyl nitroxide which can trap nitric oxide in solution forming the corresponding imino nitroxide; structure given in first source
Names & identifiers
- Preferred name
- 2-(2'-Thienyl)-4,4,5,5-tetramethylimidazoline-3-oxide 1-oxyl
- IUPAC
- [2,2,5,5-Tetramethyl-3-oxo-4-(thiophen-2-yl)-2,5-dihydro-1H-3lambda~5~-imidazol-1-yl]oxidanyl
- English name
- 2-(2'-thienyl)-4,4,5,5-tetramethylimidazoline-3-oxide 1-oxyl
- Molecular formula
- C11H15N2O2S
- Molecular weight
- 0
Names & synonyms
2-Ttioo98189-46-92-(2'-Thienyl)-4,4,5,5-tetramethylimidazoline-3-oxide 1-oxylRefChem:83880CID 192248DTXSID409134031H-Imidazol-1-yloxy, 2,5-dihydro-2,2,5,5-tetramethyl-4-(2-thienyl)-, 3-oxide[2,2,5,5-Tetramethyl-3-oxo-4-(thiophen-2-yl)-2,5-dihydro-1H-3lambda~5~-imidazol-1-yl]oxidanyl1-oxyl-4-(2-thienyl)-2,2,5,5-tetramethyl-3-imidazoline 3-oxide
Database identifiers
- CAS
98189-46-9- PubChem CID
- 192248
- DTXSID
DTXSID40913403
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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