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26131-68-0 | 3H-1,2,4-Triazole-3-thione, 4-ethyl-2,4-dihydro-5-(3-pyridinyl)-
CAS No: 26131-68-0 Catalog No: AG002RTB MDL No:MFCD02229826
Product Description
Catalog Number:
AG002RTB
Chemical Name:
3H-1,2,4-Triazole-3-thione, 4-ethyl-2,4-dihydro-5-(3-pyridinyl)-
CAS Number:
26131-68-0
Molecular Formula:
C9H10N4S
Molecular Weight:
206.2675
MDL Number:
MFCD02229826
IUPAC Name:
4-ethyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C9H10N4S/c1-2-13-8(11-12-9(13)14)7-4-3-5-10-6-7/h3-6H,2H2,1H3,(H,12,14)
InChI Key:
NCPZCRVLFQRVRR-UHFFFAOYSA-N
SMILES:
CCn1c(=S)[nH]nc1c1cccnc1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.267g/mol
Monoisotopic Mass:
206.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Allosteric antagonism of insect odorant receptor ion channels. | PloS one 20120101 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 4-Ethyl-3-(3-pyrid-yl)-1H-1,2,4-triazole-5(4H)-thione 0.095-hydrate. | Acta crystallographica. Section E, Structure reports online 20080501 |
| 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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