Compound C16H10N2O6S4

5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid

CAS: 53005-05-3

Molecular Formula	`C16H10N2O6S4`
Molecular Weight	454.5 g/mol
LogP	4.5
Topological Polar Surface Area	214.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	6
Exact Mass	453.94217
Heavy Atoms	28
Complexity	818.0

Chemical Identifiers

CAS Number	53005-05-3
SMILES	`C1=CC(=C(C=C1N=C=S)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N=C=S)S(=O)(=O)O`
InChIKey	`YSCNMFDFYJUPEF-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H10N2O6S4 (CAS: 53005-05-3) is a chemical compound with molecular formula C16H10N2O6S4 and molecular weight 454.5 g/mol. Its IUPAC systematic name is 5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid. LogP 4.5 Topological Polar Surface Area 214.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 10 Rotatable Bonds 6 Exact Mass 453.94217 Heavy Atoms 28 Complexity 818.0 InChI Key: YSCNMFDFYJUPEF-UHFFFAOYSA-N. SMILES: C1=CC(=C(C=C1N=C=S)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N=C=S)S(=O)(=O)O.

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