5-(3-Methylphenyl)-2H-1,3,4-oxathiazol-2-one

HCID 12437396
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Basic information

CAS
23589-68-6
Standard SMILES
Cc1cccc(-c2nsc(=O)o2)c1
InChIKey
QMSFYCPXMDVIRY-UHFFFAOYSA-N
Molecular formula
C9H7NO2S
Average molar mass
193.22 g/mol
Monoisotopic mass
193.01974946

Names & identifiers

Preferred name
5-(3-Methylphenyl)-2H-1,3,4-oxathiazol-2-one
IUPAC
5-(3-methylphenyl)-1,3,4-oxathiazol-2-one

Names & synonyms

23589-68-6DTXSID404982455-(3-Methylphenyl)-2H-1,3,4-oxathiazol-2-oneRefChem:299719DTXCID404490555-(m-Tolyl)-1,3,4-Oxathiazol-2-OneSCHEMBL1781114QMSFYCPXMDVIRY-UHFFFAOYSA-N5-m-Tolyl-1,3,4-oxathiazol-2-one

Database identifiers

CAS
23589-68-6
PubChem CID
12437396
DTXSID
DTXSID40498245

Properties

Computed structural propertiesFilling in

XLogP
2.5
Topological polar surface area
64 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
13

Related reactions

6 records
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Compound notes

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