4-[1,3]Dioxan-2-yl-benzenethiol

HCID 22057740
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Sc1ccc(C2OCCCO2)cc1
InChIKey
TXCGMWIPRSHLIG-UHFFFAOYSA-N
Molecular formula
C10H12O2S
Average molar mass
196.27 g/mol

Names & identifiers

Preferred name
4-[1,3]Dioxan-2-yl-benzenethiol
IUPAC
4-(1,3-dioxan-2-yl)benzenethiol

Names & synonyms

SCHEMBL5851057TXCGMWIPRSHLIG-UHFFFAOYSA-N4-[1,3]dioxan-2-yl-benzenethiol

Database identifiers

PubChem CID
22057740

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
19.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Related reactions

4 records
New reaction record

Compound notes

Loading…