CAS Registry Number: 81321-10-0

Name:

2-​Thiophenecarboxylic acid, 3-​isothiocyanato-​, methyl ester
Methyl 3-​isothiocyanato-​2-​thiophenecarboxylate 

Deleted CAS Registry Numbers: 1453875-​27-​8

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)6-5(8-4-11)2-3-12-6/h2-3H,1H3
InChIKey: RKBLURUDWDTMOB-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=CS1)N=C=S

Specification

98%

1. (1) Perdicaro, Antonio; Synthetic Communications 2008, V38(5), P723-737 CAPLUS