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14453-89-5 | Ethanone, 1-[4-[(4-aminophenyl)thio]phenyl]-
CAS No: 14453-89-5 Catalog No: AG001JPN MDL No:
Product Description
Catalog Number:
AG001JPN
Chemical Name:
Ethanone, 1-[4-[(4-aminophenyl)thio]phenyl]-
CAS Number:
14453-89-5
Molecular Formula:
C14H13NOS
Molecular Weight:
243.3241
IUPAC Name:
1-[4-(4-aminophenyl)sulfanylphenyl]ethanone
InChI:
InChI=1S/C14H13NOS/c1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14/h2-9H,15H2,1H3
InChI Key:
HUQJWQVETOTHCM-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Sc1ccc(cc1)C(=O)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.324g/mol
Monoisotopic Mass:
243.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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