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Home Other Building Blocks 2-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetic acid

2-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetic acid

CAS No.:
625366-55-4
Catalog Number:
AG019NUQ
Molecular Formula:
C11H10N2O3S
Molecular Weight:
250.2737
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Product Description
Catalog Number:
AG019NUQ
Chemical Name:
2-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetic acid
CAS Number:
625366-55-4
Molecular Formula:
C11H10N2O3S
Molecular Weight:
250.2737
MDL Number:
MFCD03729886
IUPAC Name:
2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanylacetic acid
InChI:
InChI=1S/C11H10N2O3S/c1-6-9(7(2)14)3-8(4-12)11(13-6)17-5-10(15)16/h3H,5H2,1-2H3,(H,15,16)
InChI Key:
VWDLFEVYYXMTPW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C(=O)C)c(nc1SCC(=O)O)C
Properties
Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.041g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.272g/mol
Monoisotopic Mass:
250.041g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
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