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87034-97-7 | 1H-Imidazo[4,5-c]pyridine, 4-[(benzo[b]thien-3-ylmethyl)thio]-1-methyl-
CAS No: 87034-97-7 Catalog No: AG008DUR MDL No:
Product Description
Catalog Number:
AG008DUR
Chemical Name:
1H-Imidazo[4,5-c]pyridine, 4-[(benzo[b]thien-3-ylmethyl)thio]-1-methyl-
CAS Number:
87034-97-7
Molecular Formula:
C16H13N3S2
Molecular Weight:
311.4245
IUPAC Name:
4-(1-benzothiophen-3-ylmethylsulfanyl)-1-methylimidazo[4,5-c]pyridine
InChI:
InChI=1S/C16H13N3S2/c1-19-10-18-15-13(19)6-7-17-16(15)21-9-11-8-20-14-5-3-2-4-12(11)14/h2-8,10H,9H2,1H3
InChI Key:
LTHHRPGCDYKJAL-UHFFFAOYSA-N
SMILES:
Cn1cnc2c1ccnc2SCc1csc2c1cccc2
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.055g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.421g/mol
Monoisotopic Mass:
311.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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