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51941-16-3 | 1-METHYL-5-PYRIDIN-3-YL-1H-IMIDAZOLE-2-THIOL
CAS No: 51941-16-3 Catalog No: AG00DFOF MDL No:
Product Description
Catalog Number:
AG00DFOF
Chemical Name:
1-METHYL-5-PYRIDIN-3-YL-1H-IMIDAZOLE-2-THIOL
CAS Number:
51941-16-3
IUPAC Name:
3-methyl-4-pyridin-3-yl-1H-imidazole-2-thione
InChI:
InChI=1S/C9H9N3S/c1-12-8(6-11-9(12)13)7-3-2-4-10-5-7/h2-6H,1H3,(H,11,13)
InChI Key:
DEUPXTPWWLUQRX-UHFFFAOYSA-N
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.052g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.252g/mol
Monoisotopic Mass:
191.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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