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

CAS: 13616-82-5 Cat. No.: D101774 분자식: (CH3)2C6H3SH 분자량: 138.23 Beilstein Registry Number: 6491 EC 번호: 237-100-0
주문 가능
GRADE & PURITY ≥95%
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
Storage
Room temperature
Shipped In
Normal
★
Size
USA
독일 (EU)*
Price
Qty
1g
D101774-1g
6 재고 있음
—
US$9.90
5g
D101774-5g
3 재고 있음
—
US$27.90
25g
D101774-25g
2 재고 있음
—
US$76.90
100g
D101774-100g
3 재고 있음
—
US$273.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

The sum frequency generation (SFG) spectra for the C-H stretching vibrations of the methyl group in 2,4-dimethylbenzenethiol (test molecule) was studied

Specifications

동의어
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
사양 및 순도
≥95%
보관 조건
Room temperature
배송
Normal
순수함
≥95%
이름과 식별자
Pubchem Sid508807713
정식 스마일CC1=CC(=C(C=C1)S)C
IUPAC Name2,4-dimethylbenzenethiol
InChIKeyAMNLXDDJGGTIPL-UHFFFAOYSA-N
INCHI1S/C8H10S/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
이성체 SMILES CC1=CC(=C(C=C1)S)C
WGK 독일 3
UN 번호 1993
분자량 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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
분류Thiophenols
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentThiophenols
Alternative Parents m-Xylenes  Thiols  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents M-xylene - Xylene - Thiophenol - Monocyclic benzene moiety - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
설명This 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
3D 구조
상호 작용 화학 구조 모델





인증서(CoA, COO, BSE/TSE 및 분석 차트)
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 NumberCertificate Type날짜항목
H1702002Certificate of AnalysisJul 07, 2026 D101774
A2623075Certificate of AnalysisAug 27, 2025 D101774
H2521090Certificate of AnalysisAug 27, 2025 D101774
C2528233Certificate of AnalysisApr 17, 2025 D101774
K1914065Certificate of AnalysisMar 05, 2025 D101774
D1918082Certificate of AnalysisAug 09, 2024 D101774
G2418189Certificate of AnalysisApr 29, 2024 D101774
G2418192Certificate of AnalysisApr 29, 2024 D101774
G2415504Certificate of AnalysisApr 29, 2024 D101774
F2206067Certificate of AnalysisMar 20, 2022 D101774
F2206069Certificate of AnalysisMar 20, 2022 D101774
F2206113Certificate of AnalysisMar 20, 2022 D101774

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화학 및 물리적 특성
감도Air Sensitive
굴절률1.569
발화점(°F)136.4 °F
발화점(°C)58 °C
끓는점(°C)207-208°C
분자량138.230 g/mol
XLogP32.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass138.05 Da
Monoisotopic Mass138.05 Da
Topological Polar Surface Area1.000 Ų
Heavy Atom Count9
Formal Charge0
Complexity90.600
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
참고 문헌
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).  [PMID:32620825] [10.1038/s41467-020-17132-5]
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).  [PMID:29915317] [10.1038/s41467-018-04837-x]
3. Rui Feng, Wei Wang, Tianbo Li, Feifei Yang, Xiaoyan Hu, Xinlong Yan, Lianming Zhao, Shijian Lu.  (2026)  Probing the Distinct Roles of Zeolite-Confined and External Rh Sites by Selective Poisoning in 1-Hexene Hydroformylation Regioselectivity.  Inorganic Chemistry Frontiers,      [PMID:] [10.1039/D5QI02438B]
4. Dan Yang, Mingxin Wang, Yiwen Zhao, Zhaotong Yuan, Mengjie Wu, Chunmei Zhou, Yihu Dai, Xiaoyue Wan, Yanhui Yang, Yan Zhu.  (2026)  Understanding the Doping Effect and Electrolyte Effect in Electrocatalytic Oxidation of Glycerol With Ligand-Protected Silver Nanoclusters.  Aggregate,  7  (2): (e70279).  [PMID:] [10.1002/agt2.70279]
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