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CAS Number: 111874-19-2
ethyl 2-(4-methyl-2-thioxo-2,3-dihydrothiazol-5-yl)acetate

Structure

ethyl 2-(4-methyl-2-thioxo-2,3-dihydrothiazol-5-yl)acetate
Name: ethyl 2-(4-methyl-2-thioxo-2,3-dihydrothiazol-5-yl)acetate
Synonyms:
General Information
Product Number: 111874192
CAS Registry Number: 111874-19-2
Name:
5-​Thiazoleacetic acid, 2,​3-​dihydro-​4-​methyl-​2-​thioxo-​, ethyl ester
Ethyl 2-​(2-​mercapto-​4-​methyl-​1,​3-​thiazol-​5-​yl)​acetate 
 
Chemical Formula: C8H11NO2S2
Exact Mass: 217.02
Molecular Weight: 217.31
m/z: 217.02 (100.0%), 219.02 (9.1%), 218.03 (8.9%), 218.02 (2.0%)
Elemental Analysis: C, 44.22; H, 5.10; N, 6.45; O, 14.73; S, 29.51
 
InChI: InChI=1S/C8H11NO2S2/c1-3-11-7(10)4-6-5(2)9-8(12)13-6/h3-4H2,1-2H3,(H,9,12)
InChIKey: KXYFIGWXAKGWMU-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)CC1=C(NC(=S)S1)C
 
Thermal Properties Value Condition Note
Melting Point 111-112 °C Solv: ethanol (64-17-5) (1)CAS

Specification

98%

References
  1. (1) Haro, Yujiro; Pharmaceutical Bulletin 1954, V2, P156-8 CAPLUS
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