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146001-28-7 | 1(2H)-Phthalazinethione, 4-(4-chlorophenyl)-2-phenyl-
CAS No: 146001-28-7 Catalog No: AG001DMO MDL No:
Product Description
Catalog Number:
AG001DMO
Chemical Name:
1(2H)-Phthalazinethione, 4-(4-chlorophenyl)-2-phenyl-
CAS Number:
146001-28-7
Molecular Formula:
C20H13ClN2S
Molecular Weight:
348.8486
IUPAC Name:
4-(4-chlorophenyl)-2-phenylphthalazine-1-thione
InChI:
InChI=1S/C20H13ClN2S/c21-15-12-10-14(11-13-15)19-17-8-4-5-9-18(17)20(24)23(22-19)16-6-2-1-3-7-16/h1-13H
InChI Key:
YDMFJYFTPXPQTD-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nn(c2ccccc2)c(=S)c2c1cccc2
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.049g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.848g/mol
Monoisotopic Mass:
348.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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