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Home Sulfos 4-(methylsulfanyl)-2-(naphthalene-2-sulfonamido)butanoic acid

4-(methylsulfanyl)-2-(naphthalene-2-sulfonamido)butanoic acid

CAS No.:
1396965-15-3
Catalog Number:
AG019J5X
Molecular Formula:
C15H17NO4S2
Molecular Weight:
339.4298
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Product Description
Catalog Number:
AG019J5X
Chemical Name:
4-(methylsulfanyl)-2-(naphthalene-2-sulfonamido)butanoic acid
CAS Number:
1396965-15-3
Molecular Formula:
C15H17NO4S2
Molecular Weight:
339.4298
MDL Number:
MFCD02043449
IUPAC Name:
4-methylsulfanyl-2-(naphthalen-2-ylsulfonylamino)butanoic acid
InChI:
InChI=1S/C15H17NO4S2/c1-21-9-8-14(15(17)18)16-22(19,20)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14,16H,8-9H2,1H3,(H,17,18)
InChI Key:
ALNVNZHBLAJGTP-UHFFFAOYSA-N
SMILES:
CSCCC(C(=O)O)NS(=O)(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
474  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.06g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
339.424g/mol
Monoisotopic Mass:
339.06g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
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