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Home Aminos 2-((2-[(2-Furylmethyl)amino]-2-oxoethyl)thio)benzoic acid

2-((2-[(2-Furylmethyl)amino]-2-oxoethyl)thio)benzoic acid

CAS No.:
380541-20-8
Catalog Number:
AG00I7HU
Molecular Formula:
C14H13NO4S
Molecular Weight:
291.3223
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Product Description
Catalog Number:
AG00I7HU
Chemical Name:
2-((2-[(2-Furylmethyl)amino]-2-oxoethyl)thio)benzoic acid
CAS Number:
380541-20-8
Molecular Formula:
C14H13NO4S
Molecular Weight:
291.3223
MDL Number:
MFCD03478863
IUPAC Name:
2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoic acid
InChI:
InChI=1S/C14H13NO4S/c16-13(15-8-10-4-3-7-19-10)9-20-12-6-2-1-5-11(12)14(17)18/h1-7H,8-9H2,(H,15,16)(H,17,18)
InChI Key:
LWUOGLXOMWHUER-UHFFFAOYSA-N
SMILES:
O=C(CSc1ccccc1C(=O)O)NCc1ccco1
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.057g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
291.321g/mol
Monoisotopic Mass:
291.057g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
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