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4-Methoxy-α-toluenethiol - 90%, technical grade, high purity , CAS No.6258-60-2
Basic Description
Synonyms
Q21209316 | 4-methoxybenzylthiol | H-DL-Ala-DL-Met-OH | p-Methoxy-.alpha.-toluenethiol | 2-(4-Bromo-2,5-dimethoxyphenyl)ethanamine | (+/-)-N-HYDROXY-3 4-METHYLENEDIOXYAMPHE | 4-Methoxy- | FT-0618907 | 4-methyoxybenzylmercaptan | PD182254 | 4-Methoxy-.alph
Specifications & Purity
technical grade, ≥90%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
technical grade
Product Description
Application
4-Methoxy-α-toluenethiol is used as an internal standard in the Quantitative determination of wine polyfunctional mercaptans at the level of nanogram per liter. 4-methoxy-α-toluenethiol is used to synthesize many ω-mercapto amino acids with side-chain lengths ranging from 3–5 methylene units.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Anisoles
Intermediate Tree Nodes
Not available
Direct Parent
Anisoles
Alternative Parents
Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Alkylthiols Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Alkylthiol - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(4-methoxyphenyl)methanethiol
INCHI
InChI=1S/C8H10OS/c1-9-8-4-2-7(6-10)3-5-8/h2-5,10H,6H2,1H3
InChIKey
PTDVPWWJRCOIIO-UHFFFAOYSA-N
Smiles
COC1=CC=C(C=C1)CS
Isomeric SMILES
COC1=CC=C(C=C1)CS
WGK Germany
3
Molecular Weight
154.23
Beilstein
471686
Reaxy-Rn
471686
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471686&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.573
Flash Point(°F)
> 110
Flash Point(°C)
>110
Boil Point(°C)
90-95°C/0.5mmHg
Molecular Weight
154.230 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
154.045 Da
Monoisotopic Mass
154.045 Da
Topological Polar Surface Area
10.200 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
87.300
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Xiaobing Ju, Xiuyuan Hu, Yanjing Gao, Jun Nie, Fang Sun.
(2022)
Two hydrogen donor-containing naphthalimide benzyl thioether photoinitiators for LED photopolymerization. PROGRESS IN ORGANIC COATINGS,
162
(106562).
2.
Xu Dong, Ruimin Li, Christian G. Schäfer, Fang Wang.
(2017)
Composite MF@Ag-NPs microspheres for label-free quantitative detection of uric acid. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,
523
(1).
3.
Ruimin Li, Yuting Zhang, Jing Tan, Jiaxun Wan, Jia Guo, Changchun Wang.
(2016)
Dual-Mode Encoded Magnetic Composite Microsphere Based on Fluorescence Reporters and Raman Probes as Covert Tag for Anticounterfeiting Applications. ACS Applied Materials & Interfaces,
8
(14):
(9384–9394).
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3 Citations