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295361-85-2 | 2-[(2,4-Dimethylbenzyl)thio]-1H-benzimidazole
CAS No: 295361-85-2 Catalog No: AG00I5GU MDL No:MFCD02052451
Product Description
Catalog Number:
AG00I5GU
Chemical Name:
2-[(2,4-Dimethylbenzyl)thio]-1H-benzimidazole
CAS Number:
295361-85-2
Molecular Formula:
C16H16N2S
Molecular Weight:
268.3766
MDL Number:
MFCD02052451
IUPAC Name:
2-[(2,4-dimethylphenyl)methylsulfanyl]-1H-benzimidazole
InChI:
InChI=1S/C16H16N2S/c1-11-7-8-13(12(2)9-11)10-19-16-17-14-5-3-4-6-15(14)18-16/h3-9H,10H2,1-2H3,(H,17,18)
InChI Key:
WGPUOQIVQWABJL-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)CSc1nc2c([nH]1)cccc2
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.378g/mol
Monoisotopic Mass:
268.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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