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4-Dimethylamino-benzenesulfinate (HCID 20510396)|Huagongshe
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Compound
4-Dimethylamino-benzenesulfinate
HCID
20510396
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CN(C)c1ccc(S(=O)[O-])cc1
InChIKey
NVCSMBDGWPCWLG-UHFFFAOYSA-M
Molecular formula
C8H10NO2S-
Average molar mass
184.24 g/mol
Names & identifiers
Preferred name
4-Dimethylamino-benzenesulfinate
IUPAC
4-(dimethylamino)benzenesulfinate
Names & synonyms
4-dimethylamino-benzenesulfinate
SCHEMBL13909089
NVCSMBDGWPCWLG-UHFFFAOYSA-M
Database identifiers
PubChem CID
20510396
Properties
Computed structural properties
XLogP
0.7
Topological polar surface area
62.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
12
Formal charge
-1
Complexity
159
Show all 8
Show all 8 / 8
Related reactions
3 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
1179952
As reactant
uspto-grants-2007_10
HRID
1230410
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1831328
As reactant
uspto-grants-2006_06
Compound notes
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