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Home Carboxys Ethyl 2-thiouracil-5-carboxylate

Ethyl 2-thiouracil-5-carboxylate

CAS No.:
38026-46-9
Catalog Number:
AG003MLF
Molecular Formula:
C7H8N2O3S
Molecular Weight:
200.2150
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$32
- +
25g
98%
In Stock USA
United States
$110
- +
100g
98%
In Stock USA
United States
$382
- +
Product Description
Catalog Number:
AG003MLF
Chemical Name:
Ethyl 2-thiouracil-5-carboxylate
CAS Number:
38026-46-9
Molecular Formula:
C7H8N2O3S
Molecular Weight:
200.2150
MDL Number:
MFCD00006074
IUPAC Name:
ethyl 4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C7H8N2O3S/c1-2-12-6(11)4-3-8-7(13)9-5(4)10/h3H,2H2,1H3,(H2,8,9,10,13)
InChI Key:
FQFSHLBWRUOCPX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]c(=S)[nH]c1=O
EC Number:
253-749-2
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.026g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
200.212g/mol
Monoisotopic Mass:
200.026g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
99.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Structure-activity relationship of ligands of uracil phosphoribosyltransferase from Toxoplasma gondii. Biochemical pharmacology 19940817
Properties