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Home > Imidazoles > 352330-22-4
352330-22-4 | 1-(4-methoxybenzyl)-1H-benzimidazole-2-thiol
CAS No: 352330-22-4 Catalog No: AG00JGZX MDL No:MFCD02324834
Product Description
Catalog Number:
AG00JGZX
Chemical Name:
1-(4-methoxybenzyl)-1H-benzimidazole-2-thiol
CAS Number:
352330-22-4
Molecular Formula:
C15H14N2OS
Molecular Weight:
270.3495
MDL Number:
MFCD02324834
IUPAC Name:
3-[(4-methoxyphenyl)methyl]-1H-benzimidazole-2-thione
InChI:
InChI=1S/C15H14N2OS/c1-18-12-8-6-11(7-9-12)10-17-14-5-3-2-4-13(14)16-15(17)19/h2-9H,10H2,1H3,(H,16,19)
InChI Key:
NEXWZJQHECVSJG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1c(S)nc2c1cccc2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.35g/mol
Monoisotopic Mass:
270.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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