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3-Methoxy-2-methyl-1,2,5-thiadiazol-2-ium (HCID 12495473)|Huagongshe
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Compound
3-Methoxy-2-methyl-1,2,5-thiadiazol-2-ium
HCID
12495473
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Basic information
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Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
COc1cns[n+]1C
InChIKey
NKSWXGLQSOJNGC-UHFFFAOYSA-N
Molecular formula
C4H7N2OS+
Average molar mass
131.18 g/mol
Monoisotopic mass
131.02790902
Names & identifiers
Preferred name
3-Methoxy-2-methyl-1,2,5-thiadiazol-2-ium
IUPAC
3-methoxy-2-methyl-1,2,5-thiadiazol-2-ium
Database identifiers
PubChem CID
12495473
Properties
Computed structural properties
XLogP
1.4
Topological polar surface area
54.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
8
Formal charge
1
Complexity
80
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Related reactions
1 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
175239
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Compound notes
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