CAS Registry Number: 79277-18-2

Name:

2-​Thiophenecarboxylic acid, 3-​(isocyanatosulfonyl)​-​, methyl ester
Methyl 3-​(isocyanatosulfonyl)​thiophene-​2-​carboxylate 

Chemical Formula: C7H5NO5S2
Exact Mass: 246.96
Molecular Weight: 247.25
m/z: 246.96 (100.0%), 247.96 (9.5%), 248.96 (9.2%), 248.97 (1.3%)
Elemental Analysis: C, 34.00; H, 2.04; N, 5.67; O, 32.35; S, 25.94

InChI: InChI=1S/C7H5NO5S2/c1-13-7(10)6-5(2-3-14-6)15(11,12)8-4-9/h2-3H,1H3
InChIKey: VJQINSVXSJNRLA-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=CS1)S(=O)(=O)N=C=O

Specification

98%

PCT Int. Appl. (1996), WO 9606826 A1 19960307.

PCT Int. Appl. (1993), WO 9310086 A1 19930527.