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Home Other Building Blocks 4-cyclohexyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol

4-cyclohexyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol

CAS No.:
259154-01-3
Catalog Number:
AG019JO5
Molecular Formula:
C12H15N3OS
Molecular Weight:
249.3320
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Product Description
Catalog Number:
AG019JO5
Chemical Name:
4-cyclohexyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
259154-01-3
Molecular Formula:
C12H15N3OS
Molecular Weight:
249.3320
MDL Number:
MFCD01038797
IUPAC Name:
4-cyclohexyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C12H15N3OS/c17-12-14-13-11(10-7-4-8-16-10)15(12)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,14,17)
InChI Key:
HUMGDSMVFUPLEV-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1C1CCCCC1)c1ccco1
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.094g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.332g/mol
Monoisotopic Mass:
249.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
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
Properties