Methyl-4-(Propylthio)Butyrate

HCID 20143889
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Basic information

Standard SMILES
CCCSCCCC(=O)OC
InChIKey
OXCIYTUSQHENDA-UHFFFAOYSA-N
Molecular formula
C8H16O2S
Average molar mass
176.28 g/mol
Monoisotopic mass
176.08710092

Names & identifiers

Preferred name
Methyl-4-(Propylthio)Butyrate
IUPAC
methyl 4-propylsulfanylbutanoate

Names & synonyms

Methyl-4-(Propylthio)ButyrateSCHEMBL10636474OXCIYTUSQHENDA-UHFFFAOYSA-N

Database identifiers

PubChem CID
20143889

Properties

Computed structural properties

XLogP
2
Topological polar surface area
51.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
11

Related reactions

5 records
New reaction record

Compound notes

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