2-(2-Thioxo-2,3-dihydro-benzothiazol-6-yl)-propionic acid ethyl ester

HCID 57742150
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Basic information

Standard SMILES
CCOC(=O)C(C)c1ccc2[nH]c(=S)sc2c1
InChIKey
VQGVHBRGRUULST-UHFFFAOYSA-N
Molecular formula
C12H13NO2S2
Average molar mass
267.4 g/mol
Monoisotopic mass
267.038771

Names & identifiers

Preferred name
2-(2-Thioxo-2,3-dihydro-benzothiazol-6-yl)-propionic acid ethyl ester
IUPAC
ethyl 2-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)propanoate

Names & synonyms

SCHEMBL4132175VQGVHBRGRUULST-UHFFFAOYSA-N2-(2-Thioxo-2,3-dihydro-benzothiazol-6-yl)-propionic acid ethyl ester

Database identifiers

PubChem CID
57742150

Properties

Computed structural properties

XLogP
3
Topological polar surface area
95.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
17

Related reactions

5 records
New reaction record

Compound notes

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