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Home > Other Heterocycles > 1212238-62-4
1212238-62-4 | 4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 1212238-62-4 Catalog No: AG019I7D MDL No:
Product Description
Catalog Number:
AG019I7D
Chemical Name:
4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
1212238-62-4
Molecular Formula:
C15H19N3OS
Molecular Weight:
289.3959
IUPAC Name:
4-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C15H19N3OS/c1-9(12-8-10-4-5-11(12)7-10)18-14(16-17-15(18)20)13-3-2-6-19-13/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,17,20)
InChI Key:
BMFYLIVNFBIFOS-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1C(C1CC2CC1CC2)C)c1ccco1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.125g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.397g/mol
Monoisotopic Mass:
289.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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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