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Home > Imidazoles > 77148-58-4
77148-58-4 | Pyridine, 2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]-
CAS No: 77148-58-4 Catalog No: AG005Q2D MDL No:
Product Description
Catalog Number:
AG005Q2D
Chemical Name:
Pyridine, 2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]-
CAS Number:
77148-58-4
Molecular Formula:
C10H11N3S
Molecular Weight:
205.2794
IUPAC Name:
2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]pyridine
InChI:
InChI=1S/C10H11N3S/c1-8-9(13-7-12-8)6-14-10-4-2-3-5-11-10/h2-5,7H,6H2,1H3,(H,12,13)
InChI Key:
QOZCKYWDKCFFJC-UHFFFAOYSA-N
SMILES:
Cc1[nH]cnc1CSc1ccccn1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.279g/mol
Monoisotopic Mass:
205.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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