2,5-diisothiocyanatobenzenesulfonic acid
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2,5-diisothiocyanatobenzenesulfonic acid
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CAS No:
135705-08-7
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Formula:
C8H4N2O3S3
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Chemical Name:
2,5-diisothiocyanatobenzenesulfonic acid
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Synonyms:
2,5-diisothiocyanatobenzenesulfonate;2,5-Diisothiocyanatobenzenesulfonic acid;135705-08-7;2,5-Diisothiocyanatobenzenesulfonate;SCHEMBL4579137;DTXSID70929118;ZINC2528212;2,5-diisothiocyanatobenzene-1-sulfonic acid;Benzenesulfonic acid, 2,5-diisothiocyanato-
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CAS No:
Computed Properties
Molecular Weight:272.3
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:271.93840551
Monoisotopic Mass:271.93840551
Topological Polar Surface Area:152
Heavy Atom Count:16
Complexity:444
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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