alpha-(4-Hydroxybenzenesulfonyloxyimino)thien-2-ylacetonitrile

HCID 54023906
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Basic information

Standard SMILES
N#CC(=NOS(=O)(=O)c1ccc(O)cc1)c1cccs1
InChIKey
LAUYEXQMECTGAB-UHFFFAOYSA-N
Molecular formula
C12H8N2O4S2
Average molar mass
308.3 g/mol

Names & identifiers

Preferred name
alpha-(4-Hydroxybenzenesulfonyloxyimino)thien-2-ylacetonitrile
IUPAC
[[cyano(thiophen-2-yl)methylidene]amino] 4-hydroxybenzenesulfonate

Names & synonyms

SCHEMBL10641306LAUYEXQMECTGAB-UHFFFAOYSA-Nalpha-(4-Hydroxybenzenesulfonyloxyimino)thien-2-ylacetonitrile

Database identifiers

PubChem CID
54023906

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
136 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
20

Related reactions

3 records
New reaction record

Compound notes

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