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Home Other Building Blocks 2-{[1-(2-ethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetic acid

2-{[1-(2-ethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetic acid

CAS No.:
436095-22-6
Catalog Number:
AG019JWK
Molecular Formula:
C11H12N4O3S
Molecular Weight:
280.3030
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Product Description
Catalog Number:
AG019JWK
Chemical Name:
2-{[1-(2-ethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetic acid
CAS Number:
436095-22-6
Molecular Formula:
C11H12N4O3S
Molecular Weight:
280.3030
MDL Number:
MFCD04035349
IUPAC Name:
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
InChI:
InChI=1S/C11H12N4O3S/c1-2-18-9-6-4-3-5-8(9)15-11(12-13-14-15)19-7-10(16)17/h3-6H,2,7H2,1H3,(H,16,17)
InChI Key:
PMSIUZJIDLHYNY-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1n1nnnc1SCC(=O)O
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.063g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
280.302g/mol
Monoisotopic Mass:
280.063g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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