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Home > Imidazoles > 696601-79-3
696601-79-3 | 2-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid
CAS No: 696601-79-3 Catalog No: AG01EX07 MDL No:
Product Description
Catalog Number:
AG01EX07
Chemical Name:
2-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid
CAS Number:
696601-79-3
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
IUPAC Name:
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanoic acid
InChI:
InChI=1S/C12H14N2O2S/c1-3-10(11(15)16)17-12-13-8-5-4-7(2)6-9(8)14-12/h4-6,10H,3H2,1-2H3,(H,13,14)(H,15,16)
InChI Key:
VEERFSCCRPWLDF-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)Sc1nc2c([nH]1)cc(cc2)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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 |
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