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Home Aminos 2-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)acetic acid

2-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)acetic acid

CAS No.:
338421-05-9
Catalog Number:
AG00C7JZ
Molecular Formula:
C11H10F3NO3S
Molecular Weight:
293.2622
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$82
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1g
1 week
United States
$171
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Product Description
Catalog Number:
AG00C7JZ
Chemical Name:
2-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)acetic acid
CAS Number:
338421-05-9
Molecular Formula:
C11H10F3NO3S
Molecular Weight:
293.2622
MDL Number:
MFCD00202305
IUPAC Name:
2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid
InChI:
InChI=1S/C11H10F3NO3S/c12-11(13,14)7-2-1-3-8(4-7)15-9(16)5-19-6-10(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18)
InChI Key:
IJHVISSLZSLQOZ-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)C(F)(F)F)CSCC(=O)O
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.033g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
293.26g/mol
Monoisotopic Mass:
293.033g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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