4-Acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic Acid
5-acetamido-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid
Also Known As: SITS Disodium Salt|SITS|Disodium Salt, SITS|AC1L1QRR|RefChem:912281|EZV5SX627H|CTK4G0283|YJCCSLGGODRWKK-UHFFFAOYSA-N|SID:53789053|4-Acetamido-4'-isothiocyanostilbene-2,2'-disulfonic acid|4-Acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid|D012856|4-acetamido-4-isothiocyanostilbene-2,2-disulfonate|4 Acetamido 4' isothiocyanatostilbene 2,2' disulfonic Acid|4-Acetamido-4'-isothiocyanatostilbene-2,2'-disulfonicAcid|4-Acetamido-4'-isothiocyano-2,2'-disulfonic acid stilbene|4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid|2,2'-Stilbenedisulfonic acid, 4-acetamido-4'-isothiocyanato-|4-Acetamido-4a(2)-isothiocyanatostilbene-2,2a(2)-disulfonic acid|Benzenesulfonic acid, 5-(acetylamino)-2-(2-(4-isothiocyanato-2-sulfophenyl)ethenyl)-|Benzenesulfonic acid,5-(acetylamino)-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]-|2,2'-Stilbenedisulfonic acid, 4-acetamido-4'-isothiocyanato-, (E)-|4-Acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic Acid, Disodium Salt|2-[2-(4-Acetamido-2-sulfophenyl)ethenyl]-5-isothiocyanatobenzene-1-sulfonic acid|5-(Acetylamino)-2-[(1E)-2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid|5-(Acetylamino)-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid|5-acetamido-2-[2-(4-isothiocyanato-2-sulfo-phenyl)vinyl]benzenesulfonic acid|5-acetamido-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid|Benzenesulfonic acid, 5-(acetylamino)-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]-|Benzenesulfonic acid, 5-(acetylamino)-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]-, (E)-
| Molecular Formula | C17H14N2O7S3 |
|---|---|
| Molecular Weight | 453.9963 g/mol |
| LogP | 3.04 |
| Topological Polar Surface Area | 150.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.9963 |
| Heavy Atoms | 29 |
| Complexity | 1259.9 |
Chemical Identifiers
| CAS Number | 27816-59-7 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)N=C=S)S(=O)(=O)O)S(=O)(=O)O |
Product Overview
4-Acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic Acid (CAS 27816-59-7), with molecular formula C17H14N2O7S3 and molecular weight 453.9963 g/mol. IUPAC: 5-acetamido-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid.
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