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87035-00-5 | 1H-Imidazo[4,5-c]pyridine, 4-[(benzo[b]thien-2-ylmethyl)thio]-1-methyl-
CAS No: 87035-00-5 Catalog No: AG004NJJ MDL No:
Product Description
Catalog Number:
AG004NJJ
Chemical Name:
1H-Imidazo[4,5-c]pyridine, 4-[(benzo[b]thien-2-ylmethyl)thio]-1-methyl-
CAS Number:
87035-00-5
Molecular Formula:
C16H13N3S2
Molecular Weight:
311.4245
IUPAC Name:
4-(1-benzothiophen-2-ylmethylsulfanyl)-1-methylimidazo[4,5-c]pyridine
InChI:
InChI=1S/C16H13N3S2/c1-19-10-18-15-13(19)6-7-17-16(15)20-9-12-8-11-4-2-3-5-14(11)21-12/h2-8,10H,9H2,1H3
InChI Key:
GGTZOXNQSCSFJU-UHFFFAOYSA-N
SMILES:
Cn1cnc2c1ccnc2SCc1cc2c(s1)cccc2
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:
3.8
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