1,3-Benzoxathiol-2-one, 5-methoxy-

HCID 137024

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1483-20-1
Standard SMILES: COc1ccc2oc(=O)sc2c1
InChIKey: IJUFAVNTSBXUCB-UHFFFAOYSA-N
Molecular formula: C8H6O3S
Average molar mass: 182.2 g/mol
Monoisotopic mass: 182.00376505

Names & identifiers

Preferred name: 1,3-Benzoxathiol-2-one, 5-methoxy-
IUPAC: 5-methoxy-1,3-benzoxathiol-2-one

Names & synonyms

1,3-Benzoxathiol-2-one, 5-methoxy-1483-20-15-methoxy-1,3-benzoxathiol-2-oneChemDiv2_0030625-methoxy-2H-1,3-benzoxathiol-2-oneSCHEMBL2102718DTXSID80163945IJUFAVNTSBXUCB-UHFFFAOYSA-NHMS1377L04AKOS0021387131,3-Benzoxathiol-2-one, 5-methoxy-,

Database identifiers

CAS: 1483-20-1
PubChem CID: 137024
DTXSID: DTXSID80163945
Nikkaji: J1.077.946D

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 60.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 195

Related reactions

3 records

New reaction record

HRID 165561As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1696713As productuspto-grants-2012_04

HRID 1696714As reactantuspto-grants-2012_04

Compound notes

Loading…