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56919-56-3 | (Quinolin-2-ylsulfanyl)acetic acid
CAS No: 56919-56-3 Catalog No: AG00JLOK MDL No:
Product Description
Catalog Number:
AG00JLOK
Chemical Name:
(Quinolin-2-ylsulfanyl)acetic acid
CAS Number:
56919-56-3
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
IUPAC Name:
2-quinolin-2-ylsulfanylacetic acid
InChI:
InChI=1S/C11H9NO2S/c13-11(14)7-15-10-6-5-8-3-1-2-4-9(8)12-10/h1-6H,7H2,(H,13,14)
InChI Key:
WOZJGFBFMIWEGN-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1ccc2c(n1)cccc2
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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