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Home > Pyridines > 917746-25-9
917746-25-9 | 4-(2-Cyclohex-1-enyl-ethyl)-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol
CAS No: 917746-25-9 Catalog No: AG01EZ48 MDL No:
Product Description
Catalog Number:
AG01EZ48
Chemical Name:
4-(2-Cyclohex-1-enyl-ethyl)-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol
CAS Number:
917746-25-9
Molecular Formula:
C15H18N4S
Molecular Weight:
286.3952
IUPAC Name:
4-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C15H18N4S/c20-15-18-17-14(13-6-9-16-10-7-13)19(15)11-8-12-4-2-1-3-5-12/h4,6-7,9-10H,1-3,5,8,11H2,(H,18,20)
InChI Key:
COKDYECHRNXODZ-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1CCC1=CCCCC1)c1ccncc1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.125g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.397g/mol
Monoisotopic Mass:
286.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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