200,000+ products from a single source!
sales@angenechem.com
26028-99-9 | 4-Cyclohexyl-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol
CAS No: 26028-99-9 Catalog No: AG01F832 MDL No:
Product Description
Catalog Number:
AG01F832
Chemical Name:
4-Cyclohexyl-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol
CAS Number:
26028-99-9
Molecular Formula:
C13H16N4S
Molecular Weight:
260.3579
IUPAC Name:
4-cyclohexyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C13H16N4S/c18-13-16-15-12(10-5-4-8-14-9-10)17(13)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H,16,18)
InChI Key:
DLXNXOFBPGMUJI-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1C1CCCCC1)c1cccnc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.359g/mol
Monoisotopic Mass:
260.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.