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2,4-Dimethylbenzenethiol - 95%, high purity , CAS No.13616-82-5

2 Citations

COA

Grade & Purity:

≥95%

Cas Number: 13616-82-5
Molecular Weight: 138.23
Beilstein Registry Number: 6491
EC Number: 237-100-0
MDL number: MFCD00010019
PubChem CID: 83617

In stock

Item Number

D101774

Grouped product items
SKU	Size	Availability	Price
D101774-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
D101774-5g	5g	3	$27.90
D101774-25g	25g	2	$76.90
D101774-100g	100g	3	$273.90

View related series

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

Basic Description

Synonyms	AKOS000120705 \| C10H16Br2O4 \| PS-6000 \| 2.4-Dimethyl-thiophenol \| 2,4-Dimethylbenzenethiol \| 2,4-dimethyl-benzenethiol \| 2,4-Thioxylenol \| 2-Formylbenzothiazole \| J-507244 \| 2,4-Xylenethiol \| NSC202925 \| NSC-202925 \| 2,4-Dimethyl thiophenol \| DTXSID506556
Specifications & Purity	≥95%
Shipped In	Normal
Product Description	The sum frequency generation (SFG) spectra for the C-H stretching vibrations of the methyl group in 2,4-dimethylbenzenethiol (test molecule) was studied

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

Names and Identifiers

IUPAC Name	2,4-dimethylbenzenethiol
INCHI	InChI=1S/C8H10S/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
InChIKey	AMNLXDDJGGTIPL-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1)S)C
Isomeric SMILES	CC1=CC(=C(C=C1)S)C
WGK Germany	3
UN Number	1993
Molecular Weight	138.23
Beilstein	6491
Reaxy-Rn	2040351
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2040351&ln=

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
C2528233	Certificate of Analysis	Apr 17, 2025	D101774
G2418189	Certificate of Analysis	Apr 29, 2024	D101774
G2418192	Certificate of Analysis	Apr 29, 2024	D101774
G2415504	Certificate of Analysis	Apr 29, 2024	D101774
F2206069	Certificate of Analysis	Mar 20, 2024	D101774
F2206067	Certificate of Analysis	Mar 20, 2024	D101774
F2206113	Certificate of Analysis	Mar 20, 2024	D101774
K1914065	Certificate of Analysis	Jun 06, 2023	D101774
H1702002	Certificate of Analysis	Jan 05, 2023	D101774
D1918082	Certificate of Analysis	Nov 14, 2022	D101774

Chemical and Physical Properties

Sensitivity	Air Sensitive
Refractive Index	1.569
Flash Point(°F)	136.4 °F
Flash Point(°C)	58 °C
Boil Point(°C)	207-208°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	90.600
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?

1. Liu Xu, Xu Wen Wu, Huang Xinyu, Wang Endong, Cai Xiao, Zhao Yue, Li Jin, Xiao Min, Zhang Chunfeng, Gao Yi, Ding Weiping, Zhu Yan. (2020) De novo design of Au36(SR)24 nanoclusters. Nature Communications, 11 (1): (1-7).
2. Cao Yitao, Guo Jiahao, Shi Run, Waterhouse Geoffrey I. N., Pan Jinheng, Du Zhenxia, Yao Qiaofeng, Wu Li-Zhu, Tung Chen-Ho, Xie Jianping, Zhang Tierui. (2018) Evolution of thiolate-stabilized Ag nanoclusters from Ag-thiolate cluster intermediates. Nature Communications, 9 (1): (1-6).

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