5,6-dimethoxybenzo[d]thiazol-2(3H)-one

HCID 20522285
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Basic information

Standard SMILES
COc1cc2[nH]c(=O)sc2cc1OC
InChIKey
VRUMJOKNGWXXFO-UHFFFAOYSA-N
Molecular formula
C9H9NO3S
Average molar mass
211.24 g/mol
Monoisotopic mass
211.03031432

Names & identifiers

Preferred name
5,6-dimethoxybenzo[d]thiazol-2(3H)-one
IUPAC
5,6-dimethoxy-3H-1,3-benzothiazol-2-one

Names & synonyms

5,6-dimethoxybenzo[d]thiazol-2(3H)-one53827-52-4SCHEMBL11206860VRUMJOKNGWXXFO-UHFFFAOYSA-NEUA195445,6-Dimethoxy-2(3H)-benzothiazolone2(3H)-Benzothiazolone, 5,6-dimethoxy-DB-269126

Database identifiers

PubChem CID
20522285

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
72.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
14

Related reactions

4 records
New reaction record

Compound notes

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