Home Carboxys 5-Methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid

5-Methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid

CAS No.:
101667-97-4
Catalog Number:
AG000541
Molecular Formula:
C8H6N2O3S
Molecular Weight:
210.2098
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
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Product Description
Catalog Number:
AG000541
Chemical Name:
5-Methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
CAS Number:
101667-97-4
Molecular Formula:
C8H6N2O3S
Molecular Weight:
210.2098
MDL Number:
MFCD31714809
IUPAC Name:
5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C8H6N2O3S/c1-3-4-6(11)9-2-10-7(4)14-5(3)8(12)13/h2H,1H3,(H,12,13)(H,9,10,11)
InChI Key:
CYNGLBSDKJIAOD-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(c1C)c(=O)nc[nH]2
NSC Number:
723454
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.01g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
210.207g/mol
Monoisotopic Mass:
210.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. Journal of medicinal chemistry 20160324
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties