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Home Carboxys Ethyl 4-amino-2-(methylthio)pyrimidine-5-carboxylate

Ethyl 4-amino-2-(methylthio)pyrimidine-5-carboxylate

CAS No.:
776-53-4
Catalog Number:
AG005SIP
Molecular Formula:
C8H11N3O2S
Molecular Weight:
213.2568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$54
- +
5g
95%
In Stock USA
United States
$123
- +
10g
95%
In Stock USA
United States
$193
- +
25g
95%
In Stock USA
United States
$366
- +
Product Description
Catalog Number:
AG005SIP
Chemical Name:
Ethyl 4-amino-2-(methylthio)pyrimidine-5-carboxylate
CAS Number:
776-53-4
Molecular Formula:
C8H11N3O2S
Molecular Weight:
213.2568
MDL Number:
MFCD00090781
IUPAC Name:
ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate
InChI:
InChI=1S/C8H11N3O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3,(H2,9,10,11)
InChI Key:
QINRQIZOBCQKAZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1N)SC
NSC Number:
9310
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.057g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.255g/mol
Monoisotopic Mass:
213.057g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties