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56041-34-0 | 4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 56041-34-0 Catalog No: AG01A0MR MDL No:MFCD05721292
Product Description
Catalog Number:
AG01A0MR
Chemical Name:
4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
56041-34-0
Molecular Formula:
C13H10N4S
Molecular Weight:
254.3103
MDL Number:
MFCD05721292
IUPAC Name:
4-phenyl-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C13H10N4S/c18-13-16-15-12(11-8-4-5-9-14-11)17(13)10-6-2-1-3-7-10/h1-9H,(H,16,18)
InChI Key:
WARXPHYYFONLBH-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1c1ccccc1)c1ccccn1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.311g/mol
Monoisotopic Mass:
254.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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