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Home > Imidazoles > 858513-34-5
858513-34-5 | 2H-Imidazole-2-thione,1,3-dihydro-4-(2-pyridinyl)-
CAS No: 858513-34-5 Catalog No: AG004R9S MDL No:
Product Description
Catalog Number:
AG004R9S
Chemical Name:
2H-Imidazole-2-thione,1,3-dihydro-4-(2-pyridinyl)-
CAS Number:
858513-34-5
Molecular Formula:
C8H7N3S
Molecular Weight:
177.2263
IUPAC Name:
4-pyridin-2-yl-1,3-dihydroimidazole-2-thione
InChI:
InChI=1S/C8H7N3S/c12-8-10-5-7(11-8)6-3-1-2-4-9-6/h1-5H,(H2,10,11,12)
InChI Key:
PASABGWPZZCGGT-UHFFFAOYSA-N
SMILES:
S=c1[nH]cc([nH]1)c1ccccn1
Properties
Complexity:
224
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:
2
Isotope Atom Count:
0
Molecular Weight:
177.225g/mol
Monoisotopic Mass:
177.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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