Isobutyl-4-(Propylthio)Butyrate

HCID 20143891
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Basic information

Standard SMILES
CCCSCCCC(=O)OCC(C)C
InChIKey
KCNWCMVXEGNVLZ-UHFFFAOYSA-N
Molecular formula
C11H22O2S
Average molar mass
218.36 g/mol

Names & identifiers

Preferred name
Isobutyl-4-(Propylthio)Butyrate
IUPAC
2-methylpropyl 4-propylsulfanylbutanoate

Names & synonyms

Isobutyl-4-(Propylthio)ButyrateSCHEMBL10636581KCNWCMVXEGNVLZ-UHFFFAOYSA-N

Database identifiers

PubChem CID
20143891

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
51.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
9
Heavy atoms
14

Related reactions

2 records
New reaction record

Compound notes

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