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102804-82-0 | 2-[(4-METHOXY-3-METHYL-2-PYRIDINYL)-METHYLTHIO]-BENZIMIDAZOLE
CAS No: 102804-82-0 Catalog No: AG008WUO MDL No:
Product Description
Catalog Number:
AG008WUO
Chemical Name:
2-[(4-METHOXY-3-METHYL-2-PYRIDINYL)-METHYLTHIO]-BENZIMIDAZOLE
CAS Number:
102804-82-0
Molecular Formula:
C15H15N3OS
Molecular Weight:
285.3641
IUPAC Name:
2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfanyl]-1H-benzimidazole
InChI:
InChI=1S/C15H15N3OS/c1-10-13(16-8-7-14(10)19-2)9-20-15-17-11-5-3-4-6-12(11)18-15/h3-8H,9H2,1-2H3,(H,17,18)
InChI Key:
HZNKDLUKNUEOOX-UHFFFAOYSA-N
SMILES:
COc1ccnc(c1C)CSc1nc2c([nH]1)cccc2
UNII:
ZSW7NEY2NI
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.365g/mol
Monoisotopic Mass:
285.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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