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139488-44-1 | Ethanone, 2-mercapto-1-(4-methoxyphenyl)-
CAS No: 139488-44-1 Catalog No: AG001B3Z MDL No:
Product Description
Catalog Number:
AG001B3Z
Chemical Name:
Ethanone, 2-mercapto-1-(4-methoxyphenyl)-
CAS Number:
139488-44-1
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
IUPAC Name:
1-(4-methoxyphenyl)-2-sulfanylethanone
InChI:
InChI=1S/C9H10O2S/c1-11-8-4-2-7(3-5-8)9(10)6-12/h2-5,12H,6H2,1H3
InChI Key:
STCNVACUGONENF-UHFFFAOYSA-N
SMILES:
SCC(=O)c1ccc(cc1)OC
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Trithiocarbonates: exploration of a new head group for HDAC inhibitors. | Bioorganic & medicinal chemistry letters 20070901 |
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