2,5-Diisothiocyanatobenzenesulfonate

Base Information

• Chemical Name: 2,5-Diisothiocyanatobenzenesulfonate
• CAS No.: 135705-08-7
• Molecular Formula: C8H4 N2 O3 S3
• Molecular Weight: 272.32
• DSSTox Substance ID: DTXSID70929118
• Mol file: 135705-08-7.mol

Synonyms:2,5-diisothiocyanatobenzenesulfonate

Chemical Property of 2,5-Diisothiocyanatobenzenesulfonate

Chemical Property:

• PSA: 154.48000
• LogP: 3.14010
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 271.93840551
• Heavy Atom Count: 16
• Complexity: 444

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N=C=S)S(=O)(=O)O)N=C=S