2-Bromo-1,3-dimethyl-5-[3-(methylthio)propoxy]benzene

HCID 59342575
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Basic information

Standard SMILES
CSCCCOc1cc(C)c(Br)c(C)c1
InChIKey
ROHGMEOHOHYTSX-UHFFFAOYSA-N
Molecular formula
C12H17BrOS
Average molar mass
289.23 g/mol

Names & identifiers

Preferred name
2-Bromo-1,3-dimethyl-5-[3-(methylthio)propoxy]benzene
IUPAC
2-bromo-1,3-dimethyl-5-(3-methylsulfanylpropoxy)benzene

Names & synonyms

1000414-12-92-bromo-1,3-dimethyl-5-[3-(methylthio)propoxy]benzeneSCHEMBL204295ROHGMEOHOHYTSX-UHFFFAOYSA-NDA-26928(3-(4-bromo-3,5-dimethylphenoxy)propyl)(methyl)sulfane

Database identifiers

PubChem CID
59342575

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
34.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
15

Related reactions

5 records
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Linked notes

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