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21119-13-1 | Ethanethioic acid, O-methyl ester (9CI)
CAS No: 21119-13-1 Catalog No: AG002L73 MDL No:
Product Description
Catalog Number:
AG002L73
Chemical Name:
Ethanethioic acid, O-methyl ester (9CI)
CAS Number:
21119-13-1
Molecular Formula:
C3H6OS
Molecular Weight:
90.1441
IUPAC Name:
O-methyl ethanethioate
InChI:
InChI=1S/C3H6OS/c1-3(5)4-2/h1-2H3
InChI Key:
DTOZRCOCJVVION-UHFFFAOYSA-N
SMILES:
COC(=S)C
Properties
Complexity:
42.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
90.014g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
90.14g/mol
Monoisotopic Mass:
90.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Interstellar H3+ and HCS+ ions produced in the dissociative photoionization process of CH3C(O)SCH3 in the proximity of the sulfur 2p, carbon 1s, and oxygen 1s edges. | The journal of physical chemistry. A 20120315 |
| S-methyl thioesters are produced from fatty acids and branched-chain amino acids by brevibacteria: focus on L-leucine catabolic pathway and identification of acyl-CoA intermediates. | Applied microbiology and biotechnology 20120201 |
| Theoretical study on the alkaline hydrolysis of methyl thioacetate in aqueous solution. | The journal of physical chemistry. A 20111124 |
| The relative rates of thiol-thioester exchange and hydrolysis for alkyl and aryl thioalkanoates in water. | Origins of life and evolution of the biosphere : the journal of the International Society for the Study of the Origin of Life 20111001 |
| 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 |
| HeI photoelectron and valence synchrotron photoionization studies of the thioester molecule CH3C(O)SCH3: evidence of vibronic structure. | The journal of physical chemistry. A 20080703 |
| Ionization of zwitterionic amine substrates bound to monomeric sarcosine oxidase. | Biochemistry 20051227 |
| Production of volatile organic compounds (VOCs) by yeasts isolated from the ascocarps of black (Tuber melanosporum Vitt.) and white (Tuber magnatum Pico) truffles. | Archives of microbiology 20051101 |
| Sensitive quantification of sulfur compounds in wine by headspace solid-phase microextraction technique. | Journal of chromatography. A 20050708 |
| Production of volatile organic sulfur compounds (VOSCs) by basidiomycetous yeasts. | FEMS yeast research 20050201 |
| Gas electron diffraction analysis on S-methyl thioacetate, CH3C(O)SCH3. | The Journal of organic chemistry 20040806 |
| Production of volatile compounds by cheese-ripening yeasts: requirement for a methanethiol donor for S-methyl thioacetate synthesis by Kluyveromyces lactis. | Applied microbiology and biotechnology 20020301 |
| Understanding the relative acyl-transfer reactivity of oxoesters and thioesters: computational analysis of transition state delocalization effects. | Journal of the American Chemical Society 20011107 |
| L-methionine degradation potentialities of cheese-ripening microorganisms. | The Journal of dairy research 20011101 |
| Organization of the multiple coenzymes and subunits and role of the covalent flavin link in the complex heterotetrameric sarcosine oxidase. | Biochemistry 20010508 |
| Volatile production in irradiated normal, pale soft exudative (PSE) and dark firm dry (DFD) pork under different packaging and storage conditions. | Meat science 20010401 |
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