2-(Methylsulfonyl)quinoxaline
Basic information
- CAS
16310-37-5- Standard SMILES
CS(=O)(=O)c1cnc2ccccc2n1- InChIKey
NZASRUIRVGIRJM-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2S
- Average molar mass
- 208.24 g/mol
- Monoisotopic mass
- 208.03064868
Overview
structure
Names & identifiers
- Preferred name
- 2-(Methylsulfonyl)quinoxaline
- IUPAC
- 2-methylsulfonylquinoxaline
Names & synonyms
2-(Methylsulfonyl)quinoxalineQuinoxaline, 2-(methylsulfonyl)-16310-37-5RefChem:9094402-methylsulfonylquinoxalineNSC 1583062-methylsulfonyl quinoxaline2-(Methanesulfonyl)quinoxalineSCHEMBL3521038quinoxaline, 2-methylsulphonyl-DTXSID50879723NZASRUIRVGIRJM-UHFFFAOYSA-N
Show more names
NSC158306NSC-158306DB-111653
Database identifiers
- CAS
16310-37-5- PubChem CID
- 85363
- DTXSID
DTXSID50879723- Nikkaji
- J1.415.544I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 296
Experimental & physicochemical properties
LogP0.79
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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