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40448-85-9 | S-ETHYL 2-CYANO-6-METHOXY-1(2H)-QUINOLINECARBOTHIOATE
CAS No: 40448-85-9 Catalog No: AG0072TI MDL No:
Product Description
Catalog Number:
AG0072TI
Chemical Name:
S-ETHYL 2-CYANO-6-METHOXY-1(2H)-QUINOLINECARBOTHIOATE
CAS Number:
40448-85-9
Molecular Formula:
C14H14N2O2S
Molecular Weight:
274.3382
IUPAC Name:
S-ethyl 2-cyano-6-methoxy-2H-quinoline-1-carbothioate
InChI:
InChI=1S/C14H14N2O2S/c1-3-19-14(17)16-11(9-15)5-4-10-8-12(18-2)6-7-13(10)16/h4-8,11H,3H2,1-2H3
InChI Key:
RRBZCSKOQKCQJF-UHFFFAOYSA-N
SMILES:
CCSC(=O)N1C(C#N)C=Cc2c1ccc(c2)OC
NSC Number:
165897
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.338g/mol
Monoisotopic Mass:
274.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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