3,4-Dihydro-4,4,5,8-tetramethyl-2H-1-benzothiopyran-6-carboxaldehyde

HCID 19693867
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Basic information

Standard SMILES
Cc1cc(C=O)c(C)c2c1SCCC2(C)C
InChIKey
WYXFTNCRWWDTAN-UHFFFAOYSA-N
Molecular formula
C14H18OS
Average molar mass
234.36 g/mol

Names & identifiers

Preferred name
3,4-Dihydro-4,4,5,8-tetramethyl-2H-1-benzothiopyran-6-carboxaldehyde
IUPAC
4,4,5,8-tetramethyl-2,3-dihydrothiochromene-6-carbaldehyde

Names & synonyms

SCHEMBL8647409WYXFTNCRWWDTAN-UHFFFAOYSA-N3,4-Dihydro-4,4,5,8-tetramethyl-2H-1-benzothiopyran-6-carboxaldehyde

Database identifiers

PubChem CID
19693867

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
42.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
16

Related reactions

1 records
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Linked notes

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