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5271-38-5 | 2-(Methylthio)ethanol
CAS No: 5271-38-5 Catalog No: AG00328O MDL No:MFCD00002908
Product Description
Catalog Number:
AG00328O
Chemical Name:
2-(Methylthio)ethanol
CAS Number:
5271-38-5
Molecular Formula:
C3H8OS
Molecular Weight:
92.1600
MDL Number:
MFCD00002908
IUPAC Name:
2-methylsulfanylethanol
InChI:
InChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3
InChI Key:
WBBPRCNXBQTYLF-UHFFFAOYSA-N
SMILES:
CSCCO
EC Number:
226-090-3
UNII:
5K6TOE95UY
NSC Number:
1902
FEMA Number:
4004
Properties
Complexity:
16.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
92.03g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
92.156g/mol
Monoisotopic Mass:
92.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Prevention of the wortmannin-induced inhibition of phosphoinositide 3-kinase by sulfhydryl reducing agents. | Pharmacological reports : PR 20110101 |
| Optimization of ultrasound assisted-emulsification-dispersive liquid-liquid microextraction by experimental design methodologies for the determination of sulfur compounds in wines by gas chromatography-mass spectrometry. | Analytica chimica acta 20101217 |
| Variation of some fermentative sulfur compounds in Italian 'millesime' classic sparkling wines during aging and storage on lees. | Journal of agricultural and food chemistry 20100908 |
| Lower-rim substituted calixarenes and their applications. | Bioinorganic chemistry and applications 20070101 |
| Investigation of volatiles in Charentais cantaloupe melons (Cucumis melo Var. cantalupensis). Characterization of aroma constituents in some cultivars. | Journal of agricultural and food chemistry 20040714 |
| Molecular modeling studies on the active binding site of the blood-brain barrier choline transporter. | Bioorganic & medicinal chemistry letters 20040621 |
| A possible role for the covalent heme-protein linkage in cytochrome c revealed via comparison of N-acetylmicroperoxidase-8 and a synthetic, monohistidine-coordinated heme peptide. | Biochemistry 20040217 |
| Zapoteca formosa: sulfur chemistry and phytotoxicity. | Journal of chemical ecology 20040201 |
| Comparison of thioethers and sulfoxides as axial ligands for N-acetylmicroperoxidase-8: implications for oxidation of methionine-80 in cytochrome c. | Inorganic chemistry 20031117 |
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