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2,6-Dimethylbenzenethiol - 98%, high purity , CAS No.118-72-9

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2,6-Dimethylbenzenethiol - 98%, high purity , CAS No.118-72-9

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 118-72-9
Molecular Weight: 138.23
EC Number: 204-272-3
MDL number: MFCD00010021
PubChem CID: 61045
PubChem SID: 504753743

In stock

Item Number

D103093

Grouped product items
SKU	Size	Availability	Price
D103093-1g	1g	2	$29.90
D103093-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$133.90
D103093-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$602.90

Basic Description

Synonyms	FEMA 3666 \| 2,6-Xylenethiol \| UNII-3A223G78P4 \| 2,6-Dimethylbenzenethiol, 95% \| AS-58173 \| 2,6-Dimethylbenzenethiol \| 2,6-Dimethyl-benzenethiol \| FEMA No. 3666 \| J-507525 \| AKOS006223922 \| 2,6-dimethyl thiophenol \| SCHEMBL191201 \| MFCD00010021 \| m-Xylene-
Specifications & Purity	≥98%
Storage Temp	Desiccated
Shipped In	Normal
Product Description	2,6-Dimethylbenzenethiol was used in the synthesis of (2,6-Me2C6H3S)2Pb by reacting with Pb(OAc)2.

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	m-Xylenes Thiols Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-xylene - Xylene - Thiophenol - Monocyclic benzene moiety - Arylthiol - Hydrocarbon derivative - Organosulfur 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

Associated Targets(non-human)

Xenopus laevis (337 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504753743
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504753743
IUPAC Name	2,6-dimethylbenzenethiol
INCHI	InChI=1S/C8H10S/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
InChIKey	QCLJODDRBGKIRW-UHFFFAOYSA-N
Smiles	CC1=C(C(=CC=C1)C)S
Isomeric SMILES	CC1=C(C(=CC=C1)C)S
WGK Germany	2
UN Number	2810
Molecular Weight	138.23
Reaxy-Rn	1099405
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099405&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.

8 results found

Lot Number	Certificate Type	Date	Item
A2010135	Certificate of Analysis	Jun 10, 2025	D103093
D2418266	Certificate of Analysis	Mar 25, 2024	D103093
D2418263	Certificate of Analysis	Mar 25, 2024	D103093
C1413022	Certificate of Analysis	Aug 14, 2023	D103093
K2116302	Certificate of Analysis	Aug 09, 2023	D103093
K2116304	Certificate of Analysis	Aug 09, 2023	D103093
K2116301	Certificate of Analysis	Aug 09, 2023	D103093
K2009345	Certificate of Analysis	Sep 21, 2022	D103093

Chemical and Physical Properties

Sensitivity	Hygroscopic.
Refractive Index	1.5739-1.5759
Flash Point(°F)	186.8 °F
Flash Point(°C)	85 °C
Boil Point(°C)	76°C
Molecular Weight	138.230 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	138.05 Da
Monoisotopic Mass	138.05 Da
Topological Polar Surface Area	1.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	80.600
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

How to Cite Aladdin Scientific Products? Citations Search

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