2-(4-Methylsulfanyl-phenyl)-[1,3]dioxane

HCID 22057745
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Basic information

Standard SMILES
CSc1ccc(C2OCCCO2)cc1
InChIKey
ZSXJPAGCGGCPAE-UHFFFAOYSA-N
Molecular formula
C11H14O2S
Average molar mass
210.29 g/mol

Names & identifiers

Preferred name
2-(4-Methylsulfanyl-phenyl)-[1,3]dioxane
IUPAC
2-(4-methylsulfanylphenyl)-1,3-dioxane

Names & synonyms

SCHEMBL4666428ZSXJPAGCGGCPAE-UHFFFAOYSA-N2-(4-methylsulfanyl-phenyl)-[1,3]dioxane

Database identifiers

PubChem CID
22057745

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
43.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14

Related reactions

3 records
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Compound notes

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