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Home > Imidazoles > 77148-56-2
77148-56-2 | 1H-Imidazole, 1-methyl-2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]-
CAS No: 77148-56-2 Catalog No: AG008NWD MDL No:
Product Description
Catalog Number:
AG008NWD
Chemical Name:
1H-Imidazole, 1-methyl-2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]-
CAS Number:
77148-56-2
Molecular Formula:
C9H12N4S
Molecular Weight:
208.2834
IUPAC Name:
1-methyl-2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]imidazole
InChI:
InChI=1S/C9H12N4S/c1-7-8(12-6-11-7)5-14-9-10-3-4-13(9)2/h3-4,6H,5H2,1-2H3,(H,11,12)
InChI Key:
SPWTVRQFXRQKDG-UHFFFAOYSA-N
SMILES:
Cc1[nH]cnc1CSc1nccn1C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.078g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.283g/mol
Monoisotopic Mass:
208.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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