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332885-93-5 | 3-(2-Ethylsulfanyl-benzoimidazol-1-yl)-propionic acid
CAS No: 332885-93-5 Catalog No: AG01EVBL MDL No:
Product Description
Catalog Number:
AG01EVBL
Chemical Name:
3-(2-Ethylsulfanyl-benzoimidazol-1-yl)-propionic acid
CAS Number:
332885-93-5
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
IUPAC Name:
3-(2-ethylsulfanylbenzimidazol-1-yl)propanoic acid
InChI:
InChI=1S/C12H14N2O2S/c1-2-17-12-13-9-5-3-4-6-10(9)14(12)8-7-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)
InChI Key:
PPQRWDAQXQFDAT-UHFFFAOYSA-N
SMILES:
CCSc1nc2c(n1CCC(=O)O)cccc2
Properties
Complexity:
275
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:
1
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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 |
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