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CAS Number: 73781-88-1
ethyl 2-(methylthio)pyrimidine-5-carboxylate

Structure

ethyl 2-(methylthio)pyrimidine-5-carboxylate
Name: ethyl 2-(methylthio)pyrimidine-5-carboxylate
Synonyms:
General Information
Product Number: 73781881
CAS Registry Number: 73781-88-1
Name:
5-​Pyrimidinecarboxylic acid, 2-​(methylthio)​-​, ethyl ester
Ethyl 2-​(methylthio)​pyrimidine-​5-​carboxylate 
 
Chemical Formula: C8H10N2O2S
Exact Mass: 198.05
Molecular Weight: 198.24
m/z: 198.05 (100.0%), 199.05 (9.6%), 200.04 (4.5%)
Elemental Analysis: C, 48.47; H, 5.08; N, 14.13; O, 16.14; S, 16.17
 
InChI: InChI=1S/C8H10N2O2S/c1-3-12-7(11)6-4-9-8(13-2)10-5-6/h4-5H,3H2,1-2H3
InChIKey: LVNRRUKCFUSBDL-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CN=C(N=C1)SC
 
Thermal Properties Value Condition Note
Melting Point 38-40 °C   (2)CAS

Specification

98%

References
  1. (1) Moffat, David; Journal of Medicinal Chemistry 2010, V53(24), P8663-8678 CAPLUS
  2. (2) Liu, Yu-Xiu; Journal of Chemical Research 2007, (8), P490-493 CAPLUS
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