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106510-95-6 | 4-(Phenylsulfanyl)isoquinoline
CAS No: 106510-95-6 Catalog No: AG01FEZD MDL No:
Product Description
Catalog Number:
AG01FEZD
Chemical Name:
4-(Phenylsulfanyl)isoquinoline
CAS Number:
106510-95-6
Molecular Formula:
C15H11NS
Molecular Weight:
237.3195
IUPAC Name:
4-phenylsulfanylisoquinoline
InChI:
InChI=1S/C15H11NS/c1-2-7-13(8-3-1)17-15-11-16-10-12-6-4-5-9-14(12)15/h1-11H
InChI Key:
ASKMIGSIGYTPAT-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Sc1cncc2c1cccc2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.32g/mol
Monoisotopic Mass:
237.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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