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1121-24-0 | 2-Mercaptophenol
CAS No: 1121-24-0 Catalog No: AG003HIE MDL No:MFCD00040447
Product Description
Catalog Number:
AG003HIE
Chemical Name:
2-Mercaptophenol
CAS Number:
1121-24-0
Molecular Formula:
C6H6OS
Molecular Weight:
126.1762
MDL Number:
MFCD00040447
IUPAC Name:
2-sulfanylphenol
InChI:
InChI=1S/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
InChI Key:
VMKYTRPNOVFCGZ-UHFFFAOYSA-N
SMILES:
Oc1ccccc1S
EC Number:
214-326-8
Properties
Complexity:
74.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.014g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
126.173g/mol
Monoisotopic Mass:
126.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| A practical and efficient route for the highly enantioselective synthesis of mexiletine analogues and novel beta-thiophenoxy and pyridyl ethers. | The Journal of organic chemistry 20080905 |
| Speciation analysis of mercury in sediments, zoobenthos and river water samples by high-performance liquid chromatography hyphenated to atomic fluorescence spectrometry following preconcentration by solid phase extraction. | Analytica chimica acta 20080519 |
| Inhibition of carbonic anhydrase II by thioxolone: a mechanistic and structural study. | Biochemistry 20080311 |
| Structural development of mercaptophenol self-assembled monolayers and the overlying mineral phase during templated CaCO3 crystallization from a transient amorphous film. | Journal of the American Chemical Society 20070829 |
| Quantitative studies on the formation of phenol/2-furfurylthiol conjugates in coffee beverages toward the understanding of the molecular mechanisms of coffee aroma staling. | Journal of agricultural and food chemistry 20070516 |
| Synthesis and structure determination of covalent conjugates formed from the sulfury-roasty-smelling 2-furfurylthiol and di- or trihydroxybenzenes and their identification in coffee brew. | Journal of agricultural and food chemistry 20061227 |
| Modeling zinc enzyme inhibition with functional thiolate ligands. | Inorganic chemistry 20061225 |
| Studies related to the relative thermodynamic stability of C-terminal peptidyl esters of O-hydroxy thiophenol: emergence of a doable strategy for non-cysteine ligation applicable to the chemical synthesis of glycopeptides. | Journal of the American Chemical Society 20060614 |
| Models for the molybdenum hydroxylases: synthesis, characterization and reactivity of cis-oxosulfido-Mo(VI) complexes. | Journal of the American Chemical Society 20060111 |
| Advanced procedures for separation and analysis of low molecular weight inhibitor (NCXIF) of the cardiac sodium-calcium exchanger. | Biochemical and biophysical research communications 20051125 |
| Syntheses, reactivity, and pi-donating ligand metathesis reaction of five-coordinate sixteen-electron manganese(I) complexes: crystal structures of [Mn(CO(3)(-TeC(6)H(4)-o-NH-)](-), [(Mn(CO)(3))2(mu-SC(6)H(4)-o-S--S--C(6)H(4)-o-mu-S--)], [(CO)(3)Mn(mu-SC(6)H(4)-o-NH(2)-)]2, and [(CO)(3)Mn(mu-SC(8)N(2)H(4)-o-S-)](2)(2-). | Inorganic chemistry 20010702 |
| Solid-phase library synthesis of alkoxyprolines. | Journal of combinatorial chemistry 20010101 |
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