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112107-65-0 | Isoquinoline, 1-(1-naphthalenylthio)-
CAS No: 112107-65-0 Catalog No: AG007UPJ MDL No:
Product Description
Catalog Number:
AG007UPJ
Chemical Name:
Isoquinoline, 1-(1-naphthalenylthio)-
CAS Number:
112107-65-0
Molecular Formula:
C19H13NS
Molecular Weight:
287.3782
IUPAC Name:
1-naphthalen-1-ylsulfanylisoquinoline
InChI:
InChI=1S/C19H13NS/c1-3-9-16-14(6-1)8-5-11-18(16)21-19-17-10-4-2-7-15(17)12-13-20-19/h1-13H
InChI Key:
OVDHUWLIKZFFDC-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(ccc2)Sc1nccc2c1cccc2
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.077g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.38g/mol
Monoisotopic Mass:
287.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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