CAS:29571-39-9 / ethyl 2-(4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetate--Hangzhou Chempro Technology Co., Ltd.

CAS Number: 29571-39-9
ethyl 2-(4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetate

Structure
Name: ethyl 2-(4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetate
Synonyms:

General Information

Product Number: 29571399

CAS Registry Number: 29571-39-9

Name:

5-Pyrimidineacetic acid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-, ethyl ester

5-Pyrimidineacetic acid, 4-hydroxy-2-mercapto-, ethyl ester (7CI,8CI); NSC 123141

Chemical Formula: C8H10N2O3S

Exact Mass: 214.04

Molecular Weight: 214.24

m/z: 214.04 (100.0%), 215.04 (10.2%), 216.04 (4.7%)

Elemental Analysis: C, 44.85; H, 4.70; N, 13.08; O, 22.40; S, 14.97

InChI: InChI=1S/C8H10N2O3S/c1-2-13-6(11)3-5-4-9-8(14)10-7(5)12/h4H,2-3H2,1H3,(H2,9,10,12,14)

InChIKey: AZQJLAUOZFTBTH-UHFFFAOYSA-N

Canonical SMILES : CCOC(=O)CC1=CNC(=S)NC1=O

Thermal Properties	Value	Condition	Note
Melting Point	179-180 °C		(4)CAS
Melting Point	178-180 °C	Solv: water (7732-18-5)	(5)CAS

Specification

98%

References

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