6-Methyl-2-(methylsulfonyl)-1,3-benzoxazole

HCID 21985751CAS 791594-35-9

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

Chemistry & industry

Suppliers1 total

Related reactions

9 records

Linked notes

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