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14763-64-5 | Phenol, 4-(methylsulfinyl)-
CAS No: 14763-64-5 Catalog No: AG001F21 MDL No:MFCD00464311
Product Description
Catalog Number:
AG001F21
Chemical Name:
Phenol, 4-(methylsulfinyl)-
CAS Number:
14763-64-5
Molecular Formula:
C7H8O2S
Molecular Weight:
156.2022
MDL Number:
MFCD00464311
IUPAC Name:
4-methylsulfinylphenol
InChI:
InChI=1S/C7H8O2S/c1-10(9)7-4-2-6(8)3-5-7/h2-5,8H,1H3
InChI Key:
ZCQSJUGIZGMDDA-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)S(=O)C
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.199g/mol
Monoisotopic Mass:
156.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Metabolism of methiocarb and carbaryl by rat and human livers and plasma, and effect on their PXR, CAR and PPARα activities. | The Journal of toxicological sciences 20160101 |
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