CAS Registry Number: 223785-90-8

Name:

Benzenesulfonamide, 4-​isothiocyanato-​N-​methyl-

Chemical Formula: C8H8N2O2S2
Exact Mass: 228.00
Molecular Weight: 228.29
m/z: 228.00 (100.0%), 230.00 (9.1%), 229.01 (8.8%), 229.00 (2.3%)
Elemental Analysis: C, 42.09; H, 3.53; N, 12.27; O, 14.02; S, 28.09

InChI: InChI=1S/C8H8N2O2S2/c1-9-14(11,12)8-4-2-7(3-5-8)10-6-13/h2-5,9H,1H3
InChIKey: RWAPCVBNVCMXDF-UHFFFAOYSA-N
Canonical SMILES : CNS(=O)(=O)C1=CC=C(C=C1)N=C=S

Specification

98%

PCT Int. Appl. (2014), WO 2014006066 A1 20140109.

PCT Int. Appl. (2008), WO 2008152223 A1 20081218.