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2-Trimethylsilyl-ethanesulfonic acid pyridin-3-ylmethyleneamide

HCID 66907499
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
C[Si](C)(C)CCS(=O)(=O)N=Cc1cccnc1
InChIKey
IROQDWNEOMTAJF-UHFFFAOYSA-N
Molecular formula
C11H18N2O2SSi
Average molar mass
270.43 g/mol

Names & identifiers

Preferred name
2-Trimethylsilyl-ethanesulfonic acid pyridin-3-ylmethyleneamide
IUPAC
N-(pyridin-3-ylmethylidene)-2-trimethylsilylethanesulfonamide

Names & synonyms

SCHEMBL1099624SCHEMBL1099627IROQDWNEOMTAJF-UHFFFAOYSA-NDB-1883982-trimethylsilyl-ethanesulfonic acid pyridin-3-ylmethyleneamideN-(3-pyridinylmethylene)-2-(trimethylsilyl)ethanesulfonamide1232688-60-6

Database identifiers

PubChem CID
66907499

Properties

Computed structural properties

Topological polar surface area
67.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
Formal charge
0
Complexity
355

Related reactions

3 records
New reaction record
HRID 139130 reaction equation
HRID 139130As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1691831 reaction equation
HRID 1691831As productuspto-grants-2012_04
HRID 1691832 reaction equation
HRID 1691832As reactantuspto-grants-2012_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes