CAS Registry Number 688356-75-4
Name:
1H-​Pyrrolo[2,​3-​b]​pyridine-​2-​carboxylic acid, 4-​(methylthio)​-​, methyl ester

Chemical Formula: C10H10N2O2S
Exact Mass: 222.05
Molecular Weight: 222.26
m/z: 222.05 (100.0%), 223.05 (11.8%), 224.04 (4.5%), 224.05 (1.1%)

InChI: InChI=1S/C10H10N2O2S/c1-14-10(13)7-5-6-8(15-2)3-4-11-9(6)12-7/h3-5H,1-2H3,(H,11,12)
InChIKey: WZLRAIPOSYOHQG-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC2=C(C=CN=C2N1)SC

Specification

98%

1. (1) Roy, Patrick J.; Synthesis 2005, (16), P2751-2757 CAPLUS