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10169-55-8 | Ethanone, 1-[4-(phenylthio)phenyl]-
CAS No: 10169-55-8 Catalog No: AG00057U MDL No:MFCD00026227
Product Description
Catalog Number:
AG00057U
Chemical Name:
Ethanone, 1-[4-(phenylthio)phenyl]-
CAS Number:
10169-55-8
Molecular Formula:
C14H12OS
Molecular Weight:
228.3095
MDL Number:
MFCD00026227
IUPAC Name:
1-(4-phenylsulfanylphenyl)ethanone
InChI:
InChI=1S/C14H12OS/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3
InChI Key:
XUDYHODVSUXRPW-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)Sc1ccccc1
EC Number:
233-443-5
NSC Number:
158592
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.309g/mol
Monoisotopic Mass:
228.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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