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Ethyl 5-Amino-3-(Methylsulfanyl)-1H-Pyrazole-4-Carboxylate
[CAS# 59541-46-7]

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Identification
Name Ethyl 5-Amino-3-(Methylsulfanyl)-1H-Pyrazole-4-Carboxylate
Synonyms 5-Amino-3-methylsulfanyl-1H-pyrazole-4-carboxylic acid ethyl ester; ethyl 5-amino-3-(methylsulfanyl)-1H-pyrazole-4-carboxylate; ethyl 5-amino-3-(methylthio)-1H-pyrazole-4-carboxylate
Molecular Structure CAS#: 59541-46-7, Ethyl 5-Amino-3-(Methylsulfanyl)-1H-Pyrazole-4-Carboxylate
Molecular Formula C7H11N3O2S
Molecular Weight 201.25
CAS Registry Number 59541-46-7
SMILES CCOC(=O)c1c([nH]nc1SC)N
InChI 1S/C7H11N3O2S/c1-3-12-7(11)4-5(8)9-10-6(4)13-2/h3H2,1-2H3,(H3,8,9,10)
InChIKey BHMFBKSVLSRJAT-UHFFFAOYSA-N
Properties
Density 1.4±0.1g/cm3 (Cal.)
Melting point 142-143°C (Expl.)
Boiling point 409.8±45.0°C at 760 mmHg (Cal.)
Flash point 201.7±28.7°C (Cal.)
References
(1) Yan Li, Teng-Fei Shao and Jian-Wu Wang . Ethyl 5-amino-3-methylsulfanyl-1H-pyrazole-4-carboxylate , Acta Cryst (2008). E64, o2280  
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