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332150-08-0 | 3-ETHYL-6-METHOXY-2-METHYLQUINOLINE-4-THIOL
CAS No: 332150-08-0 Catalog No: AG007GQS MDL No:MFCD01143093
Product Description
Catalog Number:
AG007GQS
Chemical Name:
3-ETHYL-6-METHOXY-2-METHYLQUINOLINE-4-THIOL
CAS Number:
332150-08-0
Molecular Formula:
C13H15NOS
Molecular Weight:
233.3293
MDL Number:
MFCD01143093
IUPAC Name:
3-ethyl-6-methoxy-2-methyl-1H-quinoline-4-thione
InChI:
InChI=1S/C13H15NOS/c1-4-10-8(2)14-12-6-5-9(15-3)7-11(12)13(10)16/h5-7H,4H2,1-3H3,(H,14,16)
InChI Key:
GWRODOLHHOXXKP-UHFFFAOYSA-N
SMILES:
CCc1c(C)nc2c(c1S)cc(cc2)OC
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.329g/mol
Monoisotopic Mass:
233.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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