4-Benzofurazansulfonamide, 7-isothiocyanato-

Base Information

• Chemical Name: 4-Benzofurazansulfonamide, 7-isothiocyanato-
• CAS No.: 147611-82-3
• Molecular Formula: C7H4 N4 O3 S2
• Molecular Weight: 256.26
• DSSTox Substance ID: DTXSID40933166
• Nikkaji Number: J1.058.297K
• Mol file: 147611-82-3.mol

Synonyms:7-aminosulfonyl-4-(2,1,3-benzoxadiazolyl)isothiocyanate;ABD-NCS

Chemical Property of 4-Benzofurazansulfonamide, 7-isothiocyanato-

Chemical Property:

• Boiling Point: 510.2±60.0 °C(Predicted)
• PKA: 8.80±0.30(Predicted)
• PSA: 151.91000
• Density: 1.90±0.1 g/cm3(Predicted)
• LogP: 2.38560
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 255.97248235
• Heavy Atom Count: 16
• Complexity: 414

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C2=NON=C2C(=C1)S(=O)(=O)N)N=C=S