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13067-87-3 | Ethanone, 2-chloro-1-[4-(phenylthio)phenyl]-
CAS No: 13067-87-3 Catalog No: AG000US8 MDL No:
Product Description
Catalog Number:
AG000US8
Chemical Name:
Ethanone, 2-chloro-1-[4-(phenylthio)phenyl]-
CAS Number:
13067-87-3
Molecular Formula:
C14H11ClOS
Molecular Weight:
262.7545
IUPAC Name:
2-chloro-1-(4-phenylsulfanylphenyl)ethanone
InChI:
InChI=1S/C14H11ClOS/c15-10-14(16)11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9H,10H2
InChI Key:
MJSOAOFVJMDJJP-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccc(cc1)Sc1ccccc1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.022g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.751g/mol
Monoisotopic Mass:
262.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Antibacterial agents. Some new guanylhydrazone derivatives. | Journal of medicinal and pharmaceutical chemistry 19610701 |
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