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Home > Quinoline > 306935-48-8
306935-48-8 | 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(2-propen-1-yl)-5-(6-quinolinyl)-
CAS No: 306935-48-8 Catalog No: AG0030VM MDL No:MFCD01764078
Product Description
Catalog Number:
AG0030VM
Chemical Name:
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(2-propen-1-yl)-5-(6-quinolinyl)-
CAS Number:
306935-48-8
Molecular Formula:
C14H12N4S
Molecular Weight:
268.3369
MDL Number:
MFCD01764078
IUPAC Name:
4-prop-2-enyl-3-quinolin-6-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C14H12N4S/c1-2-8-18-13(16-17-14(18)19)11-5-6-12-10(9-11)4-3-7-15-12/h2-7,9H,1,8H2,(H,17,19)
InChI Key:
CEZAONSETAZGPW-UHFFFAOYSA-N
SMILES:
C=CCn1c(=S)[nH]nc1c1ccc2c(c1)cccn2
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.338g/mol
Monoisotopic Mass:
268.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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