CAS Registry Number: 51908-29-3

Name:

Benzenesulfonamide, 4-​isothiocyanato-
Isothiocyanic acid, p-​sulfamoylphenyl ester (7CI); 4-​(Aminosulfonyl)​phenyl isothiocyanate; 4-​Isothiocyanatobenzen​esulfonamide; p-​Sulfamoylphenyl isothiocyanate 

Chemical Formula: C7H6N2O2S2
Exact Mass: 213.99
Molecular Weight: 214.26
m/z: 213.99 (100.0%), 214.99 (9.3%), 215.98 (9.1%)

InChI: InChI=1S/C7H6N2O2S2/c8-13(10,11)7-3-1-6(2-4-7)9-5-12/h1-4H,(H2,8,10,11)
InChIKey: IMDUFDNFSJWYQT-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC=C1N=C=S)S(=O)(=O)N

Specification

98%
 

1. (1) Khobzaoui, Moussa; Biochemical and Biophysical Research Communications 2004, V318(1), P1-3 CAPLUS
2. (2) Nagarajan, K.; Indian Journal of Pharmaceutical Sciences 1986, V48(3), P53-9 CAPLUS
3. (3) McKee, R. L.; Journal of the American Chemical Society 1946, V68, P2506-7 CAPLUS