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67465-03-6 | 1-[[5-(4-Pyridinyl)-1H-1,2,4-triazol-3-yl]thio]-2-propanone
CAS No: 67465-03-6 Catalog No: AG00FYRK MDL No:
Product Description
Catalog Number:
AG00FYRK
Chemical Name:
1-[[5-(4-Pyridinyl)-1H-1,2,4-triazol-3-yl]thio]-2-propanone
CAS Number:
67465-03-6
IUPAC Name:
1-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one
InChI:
InChI=1S/C10H10N4OS/c1-7(15)6-16-10-12-9(13-14-10)8-2-4-11-5-3-8/h2-5H,6H2,1H3,(H,12,13,14)
InChI Key:
ZNGITIZOGUCWOQ-UHFFFAOYSA-N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.277g/mol
Monoisotopic Mass:
234.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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