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Home Carboxys 3-[(benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid

3-[(benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid

CAS No.:
565174-28-9
Catalog Number:
AG00IA2X
Molecular Formula:
C17H14O3S
Molecular Weight:
298.3563
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Product Description
Catalog Number:
AG00IA2X
Chemical Name:
3-[(benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
CAS Number:
565174-28-9
Molecular Formula:
C17H14O3S
Molecular Weight:
298.3563
MDL Number:
MFCD03986073
IUPAC Name:
3-(benzylsulfanylmethyl)-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C17H14O3S/c18-17(19)16-14(13-8-4-5-9-15(13)20-16)11-21-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,19)
InChI Key:
JWTQNYOHZGHMMU-UHFFFAOYSA-N
SMILES:
OC(=O)c1oc2c(c1CSCc1ccccc1)cccc2
Properties
Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.066g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
298.356g/mol
Monoisotopic Mass:
298.066g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
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