Ethyl 4-nitrobenzylthioacetate

HCID 54092468
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Basic information

Standard SMILES
CCOC(=S)CCc1ccc([N+](=O)[O-])cc1
InChIKey
MUUSHDMUMPIVCA-UHFFFAOYSA-N
Molecular formula
C11H13NO3S
Average molar mass
239.29 g/mol

Names & identifiers

Preferred name
Ethyl 4-nitrobenzylthioacetate
IUPAC
O-ethyl 3-(4-nitrophenyl)propanethioate

Names & synonyms

Ethyl 4-nitrobenzylthioacetateSCHEMBL11265794MUUSHDMUMPIVCA-UHFFFAOYSA-N

Database identifiers

PubChem CID
54092468

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
87.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
16

Related reactions

6 records
New reaction record

Linked notes

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