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26029-01-6 | 3H-1,2,4-Triazole-3-thione, 4-ethyl-2,4-dihydro-5-(4-pyridinyl)-
CAS No: 26029-01-6 Catalog No: AG002RF5 MDL No:MFCD03286275
Product Description
Catalog Number:
AG002RF5
Chemical Name:
3H-1,2,4-Triazole-3-thione, 4-ethyl-2,4-dihydro-5-(4-pyridinyl)-
CAS Number:
26029-01-6
Molecular Formula:
C9H10N4S
Molecular Weight:
206.2675
MDL Number:
MFCD03286275
IUPAC Name:
4-ethyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C9H10N4S/c1-2-13-8(11-12-9(13)14)7-3-5-10-6-4-7/h3-6H,2H2,1H3,(H,12,14)
InChI Key:
ABRXECVGFQUVGO-UHFFFAOYSA-N
SMILES:
CCn1c(=S)[nH]nc1c1ccncc1
Properties
Complexity:
258
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 |
|---|---|
| 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 |
| Synthesis and structure elucidation of some new thioether derivatives of 1,2,4-triazoline-3-thiones and their antimicrobial activities. | Farmaco (Societa chimica italiana : 1989) 20011201 |
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