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Home Other Building Blocks 2-{[1-(2,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid

2-{[1-(2,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid

CAS No.:
851398-80-6
Catalog Number:
AG019NX6
Molecular Formula:
C13H14N2O2S
Molecular Weight:
262.3275
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Product Description
Catalog Number:
AG019NX6
Chemical Name:
2-{[1-(2,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid
CAS Number:
851398-80-6
Molecular Formula:
C13H14N2O2S
Molecular Weight:
262.3275
MDL Number:
MFCD06380397
IUPAC Name:
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetic acid
InChI:
InChI=1S/C13H14N2O2S/c1-9-3-4-10(2)11(7-9)15-6-5-14-13(15)18-8-12(16)17/h3-7H,8H2,1-2H3,(H,16,17)
InChI Key:
DJWVJRJIHMZNHF-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1nccn1c1cc(C)ccc1C
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.078g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.327g/mol
Monoisotopic Mass:
262.078g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
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