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Home Carboxys 5-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)furan-2-carboxylic acid

5-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)furan-2-carboxylic acid

CAS No.:
438622-94-7
Catalog Number:
AG00D98S
Molecular Formula:
C12H12N2O3S
Molecular Weight:
264.3003
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
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Product Description
Catalog Number:
AG00D98S
Chemical Name:
5-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)furan-2-carboxylic acid
CAS Number:
438622-94-7
Molecular Formula:
C12H12N2O3S
Molecular Weight:
264.3003
MDL Number:
MFCD03016676
IUPAC Name:
5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid
InChI:
InChI=1S/C12H12N2O3S/c1-7-5-8(2)14-12(13-7)18-6-9-3-4-10(17-9)11(15)16/h3-5H,6H2,1-2H3,(H,15,16)
InChI Key:
HWENPASLBBETFY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)CSc1nc(C)cc(n1)C
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.057g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
264.299g/mol
Monoisotopic Mass:
264.057g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
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