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Compound
Dibutyl(1,3-dithiol-2-ylidene)azanium
HCID
14127444
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Basic information
Standard SMILES
CCCC[N+](CCCC)=c1sccs1
InChIKey
PHAVUNNRDYWXBZ-UHFFFAOYSA-N
Molecular formula
C11H20NS2+
Average molar mass
230.4 g/mol
Monoisotopic mass
230.10371699
Names & identifiers
Preferred name
Dibutyl(1,3-dithiol-2-ylidene)azanium
IUPAC
dibutyl(1,3-dithiol-2-ylidene)azanium
Database identifiers
PubChem CID
14127444
Properties
Computed structural properties
XLogP
3.8
Topological polar surface area
53.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
14
Formal charge
1
Complexity
201
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Related reactions
1 records
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As solvent
HRID
175394
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Compound notes
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