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Home > Quinoline > 866039-63-6
866039-63-6 | 4-ethyl-5-(quinolin-6-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 866039-63-6 Catalog No: AG00IPXY MDL No:MFCD03848580
Product Description
Catalog Number:
AG00IPXY
Chemical Name:
4-ethyl-5-(quinolin-6-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
866039-63-6
Molecular Formula:
C13H12N4S
Molecular Weight:
256.3262
MDL Number:
MFCD03848580
IUPAC Name:
4-ethyl-3-quinolin-6-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C13H12N4S/c1-2-17-12(15-16-13(17)18)10-5-6-11-9(8-10)4-3-7-14-11/h3-8H,2H2,1H3,(H,16,18)
InChI Key:
FHHRJWWSYATCJT-UHFFFAOYSA-N
SMILES:
CCn1c(S)nnc1c1ccc2c(c1)cccn2
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.327g/mol
Monoisotopic Mass:
256.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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