CAS Registry Number: 126637-07-8

Name:

3-​Thiophenecarboxylic acid, 2-​isothiocyanato-​, methyl ester
Methyl 2-​isothiocyanatothioph​ene-​3-​carboxylate 

Chemical Formula: C7H5NO2S2
Exact Mass: 198.98
Molecular Weight: 199.25
m/z: 198.98 (100.0%), 199.98 (9.3%), 200.97 (9.1%)
Elemental Analysis: C, 42.20; H, 2.53; N, 7.03; O, 16.06; S, 32.19

InChI: InChI=1S/C7H5NO2S2/c1-10-7(9)5-2-3-12-6(5)8-4-11/h2-3H,1H3
InChIKey: YTIYSXJOPAFQPW-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(SC=C1)N=C=S

Specification

98%

1. (1) Sugiyama, Mitsuo; Chemical & Pharmaceutical Bulletin 1989, V37(8), P2122-31 CAPLUS