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149365-50-4 | Phthalazine, 1-(phenylthio)-
CAS No: 149365-50-4 Catalog No: AG001LLU MDL No:
Product Description
Catalog Number:
AG001LLU
Chemical Name:
Phthalazine, 1-(phenylthio)-
CAS Number:
149365-50-4
Molecular Formula:
C14H10N2S
Molecular Weight:
238.3076
IUPAC Name:
1-phenylsulfanylphthalazine
InChI:
InChI=1S/C14H10N2S/c1-2-7-12(8-3-1)17-14-13-9-5-4-6-11(13)10-15-16-14/h1-10H
InChI Key:
ZFYCMRGBNKNQOG-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Sc1nncc2c1cccc2
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:
3.6
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