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

HCID 19795843
Substructure searchFind similar structures

Basic information

Standard SMILES
CSc1sc2c(F)c(F)c(F)cc2c(=O)c1C(=O)O
InChIKey
GRQRTEDGBZIEIP-UHFFFAOYSA-N
Molecular formula
C11H5F3O3S2
Average molar mass
306.3 g/mol
Monoisotopic mass
305.96322085

Names & identifiers

Preferred name
3-Carboxy-2-methylthio-4-oxo-6,7,8-trifluoro-4H-1-benzothiopyran
IUPAC
6,7,8-trifluoro-2-methylsulfanyl-4-oxothiochromene-3-carboxylic acid

Names & synonyms

SCHEMBL9016630GRQRTEDGBZIEIP-UHFFFAOYSA-N3-Carboxy-2-methylthio-4-oxo-6,7,8-trifluoro-4H-1-benzothiopyran

Database identifiers

PubChem CID
19795843

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
105 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
2
Heavy atoms
19

Related reactions

2 records
New reaction record

Linked notes

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