Ethyl (4-isopropylbenzylthio)acetate

HCID 54329641
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Basic information

Standard SMILES
CCOC(=O)CSCc1ccc(C(C)C)cc1
InChIKey
SXKWUKRJMPOWTG-UHFFFAOYSA-N
Molecular formula
C14H20O2S
Average molar mass
252.37 g/mol

Names & identifiers

Preferred name
Ethyl (4-isopropylbenzylthio)acetate
IUPAC
ethyl 2-[(4-propan-2-ylphenyl)methylsulfanyl]acetate

Names & synonyms

SXKWUKRJMPOWTG-UHFFFAOYSA-Nethyl (4-isopropylbenzylthio)acetate

Database identifiers

PubChem CID
54329641

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
51.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
17

Related reactions

6 records
New reaction record

Linked notes

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