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320581-13-3 | 2-{[2-(2-Methylphenoxy)ethyl]thio}-1H-benzimidazole
CAS No: 320581-13-3 Catalog No: AG00I62T MDL No:MFCD00621738
Product Description
Catalog Number:
AG00I62T
Chemical Name:
2-{[2-(2-Methylphenoxy)ethyl]thio}-1H-benzimidazole
CAS Number:
320581-13-3
Molecular Formula:
C16H16N2OS
Molecular Weight:
284.3760
MDL Number:
MFCD00621738
IUPAC Name:
2-[2-(2-methylphenoxy)ethylsulfanyl]-1H-benzimidazole
InChI:
InChI=1S/C16H16N2OS/c1-12-6-2-5-9-15(12)19-10-11-20-16-17-13-7-3-4-8-14(13)18-16/h2-9H,10-11H2,1H3,(H,17,18)
InChI Key:
AAPVCQWLJSSUGW-UHFFFAOYSA-N
SMILES:
Cc1ccccc1OCCSc1nc2c([nH]1)cccc2
Properties
Complexity:
302
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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