Basic information
- Standard SMILES
Cc1ccc2nc(S(C)(=O)=O)oc2c1- InChIKey
VDBCLRHHWCDXKG-UHFFFAOYSA-N- Molecular formula
- C9H9NO3S
- Average molar mass
- 211.24 g/mol
- Monoisotopic mass
- 211.03031415
Names & identifiers
- Preferred name
- 6-Methyl-2-(methylsulfonyl)-1,3-benzoxazole
- IUPAC
- 6-methyl-2-methylsulfonyl-1,3-benzoxazole
- English name
- Benzoxazole,6-methyl-2-(methylsulfonyl)-(9CI)
- Molecular formula
- C9H9NO3S
- Molecular weight
- 211.23766
Names & synonyms
791594-35-96-Methyl-2-(methylsulfonyl)benzo[d]oxazole6-Methyl-2-(methylsulfonyl)-1,3-benzoxazoleSCHEMBL1748081DTXSID80621196VDBCLRHHWCDXKG-UHFFFAOYSA-NDB-2859682-(Methanesulfonyl)-6-methyl-1,3-benzoxazoleBENZOXAZOLE, 6-METHYL-2-(METHYLSULFONYL)-Benzoxazole,6-methyl-2-(methylsulfonyl)-(9CI)
Database identifiers
- CAS
791594-35-9- PubChem CID
- 21985751
- DTXSID
DTXSID80621196
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 309
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
9 records
Linked notes
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