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Home Carboxys Ethyl 3-amino-5-(methylthio)-1H-pyrazole-4-carboxylate

Ethyl 3-amino-5-(methylthio)-1H-pyrazole-4-carboxylate

CAS No.:
59541-46-7
Catalog Number:
AG00EM18
Molecular Formula:
C7H11N3O2S
Molecular Weight:
201.2461
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$104
- +
250mg
95%
In Stock USA
United States
$189
- +
Product Description
Catalog Number:
AG00EM18
Chemical Name:
Ethyl 3-amino-5-(methylthio)-1H-pyrazole-4-carboxylate
CAS Number:
59541-46-7
Molecular Formula:
C7H11N3O2S
Molecular Weight:
201.2461
MDL Number:
MFCD01108198
IUPAC Name:
ethyl 5-amino-3-methylsulfanyl-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C7H11N3O2S/c1-3-12-7(11)4-5(8)9-10-6(4)13-2/h3H2,1-2H3,(H3,8,9,10)
InChI Key:
BHMFBKSVLSRJAT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(SC)[nH]nc1N
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.057g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
201.244g/mol
Monoisotopic Mass:
201.057g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Synthesis and pharmacological investigation of 5-substituted-3-methylsulfanyl-1H-pyrazole-4-carboxylic acid ethyl esters as new analgesic and anti-inflammatory agents. Arzneimittel-Forschung 20121001
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Ethyl 5-amino-3-methyl-sulfan-yl-1H-pyrazole-4-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20081201
Properties