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5-(3-amino-4,5,6,7-tetrachloroisoindol-1-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one (HCID 178508331)|Huagongshe
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Compound
5-(3-amino-4,5,6,7-tetrachloroisoindol-1-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one
HCID
178508331
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Basic information
Names & identifiers
Properties
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Basic information
Standard SMILES
N=C1NC(=C2SC(=O)NC2=S)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
InChIKey
NSQLPJNAFWRDPQ-UHFFFAOYSA-N
Molecular formula
C11H3Cl4N3OS2
Average molar mass
399.1 g/mol
Monoisotopic mass
396.847165
Names & identifiers
IUPAC
5-(3-amino-4,5,6,7-tetrachloroisoindol-1-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one
Database identifiers
PubChem CID
86734827
Properties
Computed structural properties
XLogP
3.7
Topological polar surface area
125 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
21
Formal charge
0
Complexity
596
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
188881
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
436860
As product
uspto-grants-1977_06
Compound notes
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