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Home > Imidazoles > 141075-24-3
141075-24-3 | 2-Propanone, 1-[(6-methyl-1H-benzimidazol-2-yl)thio]-
CAS No: 141075-24-3 Catalog No: AG001FTK MDL No:
Product Description
Catalog Number:
AG001FTK
Chemical Name:
2-Propanone, 1-[(6-methyl-1H-benzimidazol-2-yl)thio]-
CAS Number:
141075-24-3
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
IUPAC Name:
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
InChI:
InChI=1S/C11H12N2OS/c1-7-3-4-9-10(5-7)13-11(12-9)15-6-8(2)14/h3-5H,6H2,1-2H3,(H,12,13)
InChI Key:
PHSGMIZQCOUZRL-UHFFFAOYSA-N
SMILES:
CC(=O)CSc1nc2c([nH]1)cc(cc2)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.29g/mol
Monoisotopic Mass:
220.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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