5-Chloro-2-(tetrahydro-thiopyran-4-yloxy)-benzaldehyde

HCID 57743264
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1cc(Cl)ccc1OC1CCSCC1
InChIKey
XMQKNSXUTRFANN-UHFFFAOYSA-N
Molecular formula
C12H13ClO2S
Average molar mass
256.75 g/mol

Names & identifiers

Preferred name
5-Chloro-2-(tetrahydro-thiopyran-4-yloxy)-benzaldehyde
IUPAC
5-chloro-2-(thian-4-yloxy)benzaldehyde

Names & synonyms

5-chloro-2-(tetrahydro-thiopyran-4-yloxy)-benzaldehydeSCHEMBL274642XMQKNSXUTRFANN-UHFFFAOYSA-N

Database identifiers

PubChem CID
57743264

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
51.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
16

Related reactions

2 records
New reaction record

Linked notes

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