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87535-59-9 | 2-(PHENYLTHIO)-1,8-NAPHTHYRIDINE
CAS No: 87535-59-9 Catalog No: AG004H45 MDL No:
Product Description
Catalog Number:
AG004H45
Chemical Name:
2-(PHENYLTHIO)-1,8-NAPHTHYRIDINE
CAS Number:
87535-59-9
Molecular Formula:
C14H10N2S
Molecular Weight:
238.3076
IUPAC Name:
2-phenylsulfanyl-1,8-naphthyridine
InChI:
InChI=1S/C14H10N2S/c1-2-6-12(7-3-1)17-13-9-8-11-5-4-10-15-14(11)16-13/h1-10H
InChI Key:
OQBSHBLWOJKJDY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Sc1ccc2c(n1)nccc2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.308g/mol
Monoisotopic Mass:
238.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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