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4-Methoxythiophenol - 98%, high purity , CAS No.696-63-9

6 Citations

COA

Grade & Purity:

≥98%

Cas Number: 696-63-9
Molecular Weight: 140.2
Beilstein Registry Number: 1446910
EC Number: 211-799-2
MDL number: MFCD00004849
PubChem CID: 12765

In stock

Item Number

M101780

Grouped product items
SKU	Size	Availability	Price
M101780-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$46.90
M101780-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$83.90
M101780-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$137.90
M101780-100g	100g	1	$495.90
M101780-500g	500g	1	$2,231.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	F0001-1809 \| Benzenethiol, 4-methoxy- \| NIFAOMSJMGEFTQ-UHFFFAOYSA- \| UNII-68N68LMU0G \| InChI=1/C7H8OS/c1-8-6-2-4-7(9)5-3-6/h2-5,9H,1H3 \| QU5 \| 4methoxythiophenol \| 4-Methoxythiophenol \| 4-methoxy-thiophenol \| 68N68LMU0G \| STR00751 \| 4-methoxyphenylthiol \|
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	4-Methoxythiophenol was used in preparing samples for self-assembled monolayers (SAM′s) characterization and to study SAM’s effect on both n- and p-channel organic thin film transistors. 4-Methoxythiophenol was used in cesium fluoride-Celite catalyzed preparation of thioethers and thioesters.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Thiophenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Thiophenols
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thiophenols
Alternative Parents	Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Thiols Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Methoxybenzene - Thiophenol - Phenol ether - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Arylthiol - Ether - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

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-methoxybenzenethiol
INCHI	InChI=1S/C7H8OS/c1-8-6-2-4-7(9)5-3-6/h2-5,9H,1H3
InChIKey	NIFAOMSJMGEFTQ-UHFFFAOYSA-N
Smiles	COC1=CC=C(C=C1)S
Isomeric SMILES	COC1=CC=C(C=C1)S
WGK Germany	3
RTECS	DC1800000
UN Number	2810
Packing Group	III
Molecular Weight	140.2
Beilstein	1446910
Reaxy-Rn	1446910
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1446910&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot Number	Certificate Type	Date	Item
A2213504	Certificate of Analysis	Jun 10, 2025	M101780
A2213521	Certificate of Analysis	Jun 10, 2025	M101780
A2213485	Certificate of Analysis	Jun 10, 2025	M101780
E2526259	Certificate of Analysis	May 27, 2025	M101780
H2104195	Certificate of Analysis	Feb 07, 2025	M101780
L2423215	Certificate of Analysis	Jul 09, 2024	M101780
L2423216	Certificate of Analysis	Jul 09, 2024	M101780
A2213512	Certificate of Analysis	Oct 11, 2023	M101780
H2104194	Certificate of Analysis	May 10, 2023	M101780
G2028182	Certificate of Analysis	May 10, 2022	M101780
K2408138	Certificate of Analysis	Dec 14, 2021	M101780
K2421075	Certificate of Analysis	May 31, 2021	M101780

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Chemical and Physical Properties

Solubility	Not miscible or difficult to mix.
Sensitivity	Air sensitive.
Refractive Index	1.5831
Flash Point(°F)	204.8 °F
Flash Point(°C)	96 °C
Boil Point(°C)	100-103°C/13mmHg
Molecular Weight	140.200 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	140.03 Da
Monoisotopic Mass	140.03 Da
Topological Polar Surface Area	10.200 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	77.000
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

Documents & Articles

Nicewicz Photoredox Catalysts for Anti-Markovnikov Alkene Hydrofunctionalization

Categories: Technical articles

Tags:

Catalyst Photocatalyst Ligand Olefin hydrogenation Anti-Markovnikov Hydrofunctionalization

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Xiao-Juan Li, Ming-Yu Qi, Jing-Yu Li, Chang-Long Tan, Zi-Rong Tang, Yi-Jun Xu. (2023) Visible light-driven dehydrocoupling of thiols to disulfides and H2 evolution over PdS-decorated ZnIn2S4 composites. CHINESE JOURNAL OF CATALYSIS, 51 (55).
2. Niu Wu, Di Wu, Yueyi Shen, Li-e Liu, Lihua Ding, Yongjun Wu, Ningge Jian. (2023) Fast and sensitive detection of highly toxic thiophenol using β-CD modified nanofibers membrane with promoted fluorescence response. SENSORS AND ACTUATORS B-CHEMICAL, 394 (134431).
3. Ming-Hui Sun, Ming-Yu Qi, Zi-Rong Tang, Yi-Jun Xu. (2023) Dual cocatalysts decorated CdS nanoparticles for efficient dehydrocoupling of thiols into disulfides. APPLIED CATALYSIS B-ENVIRONMENTAL, 321 (122019).
4. Li Yanzhou, Jiang Xiaoming, Fu Zhihua, Huang Qingqing, Wang Guan-E., Deng Wei-Hua, Wang Chen, Li Zhenzhu, Yin Wanjian, Chen Banglin, Xu Gang. (2020) Coordination assembly of 2D ordered organic metal chalcogenides with widely tunable electronic band gaps. Nature Communications, 11 (1): (1-9).
5. Yiyue Zhang, Liangjing Zhang, Liang Hu, Shaolong Huang, Zhengyuan Jin, Min Zhang, Xiaoyong Huang, Jianguo Lu, Shuangchen Ruan, Yu-Jia Zeng. (2019) Multifunctional Zn–Al layered double hydroxides for surface-enhanced Raman scattering and surface-enhanced infrared absorption. DALTON TRANSACTIONS, 48 (2): (426-434).
6. Hao Hao, Meng Liu, Ge Tang, Yi Liu, Feng-Lei Jiang. (2024) CdSe/ZnS Quantum Dots with Enhanced Stability and Conductivity by Thiolphenyl Ligands for Displays. ACS Applied Nano Materials, 7 (11): (12653-12663).

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