Methyl 2-(isothiazol-4-yl)acetate

HCID 12906554
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Basic information

CAS
10271-83-7
Standard SMILES
COC(=O)Cc1cnsc1
InChIKey
DXRJPHMQVBTPCP-UHFFFAOYSA-N
Molecular formula
C6H7NO2S
Average molar mass
157.19 g/mol
Monoisotopic mass
157.01974946

Names & identifiers

Preferred name
Methyl 2-(isothiazol-4-yl)acetate
IUPAC
methyl 2-(1,2-thiazol-4-yl)acetate

Names & synonyms

10271-83-7methyl 2-(isothiazol-4-yl)acetate4-Isothiazoleacetic acid, methyl esterSCHEMBL11010268DTXSID60512654DXRJPHMQVBTPCP-UHFFFAOYSA-NMethyl (1,2-thiazol-4-yl)acetate

Database identifiers

CAS
10271-83-7
PubChem CID
12906554
DTXSID
DTXSID60512654

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
67.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
10

Related reactions

4 records
New reaction record

Compound notes

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