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87035-30-1 | 1H-Imidazo[4,5-c]pyridine, 4-[(benzo[b]thien-3-ylmethyl)thio]-1-ethyl-
CAS No: 87035-30-1 Catalog No: AG004GML MDL No:
Product Description
Catalog Number:
AG004GML
Chemical Name:
1H-Imidazo[4,5-c]pyridine, 4-[(benzo[b]thien-3-ylmethyl)thio]-1-ethyl-
CAS Number:
87035-30-1
Molecular Formula:
C17H15N3S2
Molecular Weight:
325.4511
IUPAC Name:
4-(1-benzothiophen-3-ylmethylsulfanyl)-1-ethylimidazo[4,5-c]pyridine
InChI:
InChI=1S/C17H15N3S2/c1-2-20-11-19-16-14(20)7-8-18-17(16)22-10-12-9-21-15-6-4-3-5-13(12)15/h3-9,11H,2,10H2,1H3
InChI Key:
AIXPEYNUVIJNHX-UHFFFAOYSA-N
SMILES:
CCn1cnc2c1ccnc2SCc1csc2c1cccc2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.071g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.448g/mol
Monoisotopic Mass:
325.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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