3-Guanidinobenzenesulfonic acid methyl ester

Base Information

• Chemical Name: 3-Guanidinobenzenesulfonic acid methyl ester
• CAS No.: 46426-73-7
• Molecular Formula: C8H11 N3 O3 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID90196840
• Mol file: 46426-73-7.mol

Synonyms:3-guanidinobenzenesulfonic acid methyl ester;mGBSOM

Chemical Property of 3-Guanidinobenzenesulfonic acid methyl ester

Chemical Property:

• Vapor Pressure: 1.26E-08mmHg at 25°C
• Boiling Point: 459.5°Cat760mmHg
• Flash Point: 231.7°C
• PSA: 113.65000
• Density: 1.45g/cm³
• LogP: 2.28090
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 229.05211239
• Heavy Atom Count: 15
• Complexity: 330

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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