3-Ethoxycarbonyl-2-methylthio-4-oxo-6,7,8-trifluoro-4H-1-benzothiopyran

HCID 21770222
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Basic information

Standard SMILES
CCOC(=O)c1c(SC)sc2c(F)c(F)c(F)cc2c1=O
InChIKey
XAGVUVWRIACMPK-UHFFFAOYSA-N
Molecular formula
C13H9F3O3S2
Average molar mass
334.3 g/mol

Names & identifiers

Preferred name
3-Ethoxycarbonyl-2-methylthio-4-oxo-6,7,8-trifluoro-4H-1-benzothiopyran
IUPAC
ethyl 6,7,8-trifluoro-2-methylsulfanyl-4-oxothiochromene-3-carboxylate

Names & synonyms

SCHEMBL9016749XAGVUVWRIACMPK-UHFFFAOYSA-N3-Ethoxycarbonyl-2-methylthio-4-oxo-6,7,8-trifluoro-4H-1-benzothiopyran

Database identifiers

PubChem CID
21770222

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
94 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
21

Related reactions

2 records
New reaction record

Linked notes

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