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313964-27-1 | 2-{[2-(4-Methylphenoxy)ethyl]thio}-1H-benzimidazole
CAS No: 313964-27-1 Catalog No: AG00I5XJ MDL No:MFCD01022067
Product Description
Catalog Number:
AG00I5XJ
Chemical Name:
2-{[2-(4-Methylphenoxy)ethyl]thio}-1H-benzimidazole
CAS Number:
313964-27-1
Molecular Formula:
C16H16N2OS
Molecular Weight:
284.3760
MDL Number:
MFCD01022067
IUPAC Name:
2-[2-(4-methylphenoxy)ethylsulfanyl]-1H-benzimidazole
InChI:
InChI=1S/C16H16N2OS/c1-12-6-8-13(9-7-12)19-10-11-20-16-17-14-4-2-3-5-15(14)18-16/h2-9H,10-11H2,1H3,(H,17,18)
InChI Key:
GZQPCIZIEDXNLX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)OCCSc1nc2c([nH]1)cccc2
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.098g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.377g/mol
Monoisotopic Mass:
284.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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