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87035-33-4 | 1H-Imidazo[4,5-c]pyridine, 4-[[(2-chlorophenyl)methyl]thio]-1-propyl-
CAS No: 87035-33-4 Catalog No: AG004JX0 MDL No:
Product Description
Catalog Number:
AG004JX0
Chemical Name:
1H-Imidazo[4,5-c]pyridine, 4-[[(2-chlorophenyl)methyl]thio]-1-propyl-
CAS Number:
87035-33-4
Molecular Formula:
C16H16ClN3S
Molecular Weight:
317.8363
IUPAC Name:
4-[(2-chlorophenyl)methylsulfanyl]-1-propylimidazo[4,5-c]pyridine
InChI:
InChI=1S/C16H16ClN3S/c1-2-9-20-11-19-15-14(20)7-8-18-16(15)21-10-12-5-3-4-6-13(12)17/h3-8,11H,2,9-10H2,1H3
InChI Key:
RUZCREVQMAVSHZ-UHFFFAOYSA-N
SMILES:
CCCn1cnc2c1ccnc2SCc1ccccc1Cl
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.835g/mol
Monoisotopic Mass:
317.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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