4-Acetamido-4'-isothiocyanostilbene-2,2'-disulfonic acid

Base Information

• Chemical Name: 4-Acetamido-4'-isothiocyanostilbene-2,2'-disulfonic acid
• CAS No.: 27816-59-7
• Molecular Formula: C17H14 N2 O7 S3
• Molecular Weight: 454.505
• Hs Code.: 2930909090
• UNII: EZV5SX627H
• DSSTox Substance ID: DTXSID001191341
• Mol file: 27816-59-7.mol

Synonyms:4 Acetamido 4' isothiocyanatostilbene 2,2' disulfonic Acid;4-Acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic Acid;4-Acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic Acid, Disodium Salt;Disodium Salt, SITS;SITS;SITS Disodium Salt

Chemical Property of 4-Acetamido-4'-isothiocyanostilbene-2,2'-disulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 199.05000
• Density: 1.52g/cm³
• LogP: 5.27770
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 453.99631431
• Heavy Atom Count: 29
• Complexity: 883

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical 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

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