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Home > Pyridines > 854137-74-9
854137-74-9 | 4-cyclopropyl-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 854137-74-9 Catalog No: AG019M34 MDL No:MFCD07311002
Product Description
Catalog Number:
AG019M34
Chemical Name:
4-cyclopropyl-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
854137-74-9
Molecular Formula:
C10H10N4S
Molecular Weight:
218.2782
MDL Number:
MFCD07311002
IUPAC Name:
4-cyclopropyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C10H10N4S/c15-10-13-12-9(14(10)8-3-4-8)7-2-1-5-11-6-7/h1-2,5-6,8H,3-4H2,(H,13,15)
InChI Key:
BSSUFTAITZXBCO-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1C1CC1)c1cccnc1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.278g/mol
Monoisotopic Mass:
218.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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