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Home > Imidazoles > 17452-15-2
17452-15-2 | 2H-Imidazole-2-thione, 1,3-dihydro-1-(3-pyridinyl)-
CAS No: 17452-15-2 Catalog No: AG001ZQU MDL No:
Product Description
Catalog Number:
AG001ZQU
Chemical Name:
2H-Imidazole-2-thione, 1,3-dihydro-1-(3-pyridinyl)-
CAS Number:
17452-15-2
Molecular Formula:
C8H7N3S
Molecular Weight:
177.2263
IUPAC Name:
3-pyridin-3-yl-1H-imidazole-2-thione
InChI:
InChI=1S/C8H7N3S/c12-8-10-4-5-11(8)7-2-1-3-9-6-7/h1-6H,(H,10,12)
InChI Key:
GUFDFGXJICAQJM-UHFFFAOYSA-N
SMILES:
S=c1[nH]ccn1c1cccnc1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.225g/mol
Monoisotopic Mass:
177.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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