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Home > Pyridines > 1038295-21-4
1038295-21-4 | 4-[2-(pyridin-2-yl)ethyl]-4H-1,2,4-triazole-3-thiol
CAS No: 1038295-21-4 Catalog No: AG01AA4Q MDL No:MFCD11201339
Product Description
Catalog Number:
AG01AA4Q
Chemical Name:
4-[2-(pyridin-2-yl)ethyl]-4H-1,2,4-triazole-3-thiol
CAS Number:
1038295-21-4
Molecular Formula:
C9H10N4S
Molecular Weight:
206.2675
MDL Number:
MFCD11201339
IUPAC Name:
4-(2-pyridin-2-ylethyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C9H10N4S/c14-9-12-11-7-13(9)6-4-8-3-1-2-5-10-8/h1-3,5,7H,4,6H2,(H,12,14)
InChI Key:
CGZBCUJMSHBRJJ-UHFFFAOYSA-N
SMILES:
Sc1nncn1CCc1ccccn1
Properties
Complexity:
241
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:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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