2-[1,3-Dithian-2-yl]-5-nitrobenzaldehyde

HCID 13530284
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Basic information

Standard SMILES
O=Cc1cc([N+](=O)[O-])ccc1C1SCCCS1
InChIKey
JBZBDRVFGXEWMI-UHFFFAOYSA-N
Molecular formula
C11H11NO3S2
Average molar mass
269.3 g/mol

Names & identifiers

Preferred name
2-[1,3-Dithian-2-yl]-5-nitrobenzaldehyde
IUPAC
2-(1,3-dithian-2-yl)-5-nitrobenzaldehyde

Names & synonyms

2-[1,3-Dithian-2-yl]-5-nitrobenzaldehydeSCHEMBL10858788JBZBDRVFGXEWMI-UHFFFAOYSA-N

Database identifiers

PubChem CID
13530284

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
113 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
17

Related reactions

3 records
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Compound notes

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