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Home Other Building Blocks 2-(furan-2-ylformamido)-4-(methylsulfanyl)butanoic acid

2-(furan-2-ylformamido)-4-(methylsulfanyl)butanoic acid

CAS No.:
65054-95-7
Catalog Number:
AG019J82
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
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Product Description
Catalog Number:
AG019J82
Chemical Name:
2-(furan-2-ylformamido)-4-(methylsulfanyl)butanoic acid
CAS Number:
65054-95-7
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
MDL Number:
MFCD00573255
IUPAC Name:
2-(furan-2-carbonylamino)-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C10H13NO4S/c1-16-6-4-7(10(13)14)11-9(12)8-3-2-5-15-8/h2-3,5,7H,4,6H2,1H3,(H,11,12)(H,13,14)
InChI Key:
UXLDCMMGQUCRHU-UHFFFAOYSA-N
SMILES:
CSCCC(C(=O)O)NC(=O)c1ccco1
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.057g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.277g/mol
Monoisotopic Mass:
243.057g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
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