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

CAS: 13616-82-5 Cat. No.: D101774 分子式: (CH3)2C6H3SH 分子量: 138.23 Beilstein Registry Number: 6491 EC番号: 237-100-0
注文可能
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
ドイツ (EU)*
Price
Qty
1g
D101774-1g
6 在庫あり
—
$9.90
5g
D101774-5g
3 在庫あり
—
$27.90
25g
D101774-25g
2 在庫あり
—
$76.90
100g
D101774-100g
3 在庫あり
—
$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.

概要

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

同義語
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
仕様と純度
≥95%
保管条件
Room temperature
入荷
Normal
純度
≥95%
名前と識別子
パブケム・シド
カノニカル・スマイル
CC1=CC(=C(C=C1)S)C
IUPAC Name
2,4-dimethylbenzenethiol
InChIKey
AMNLXDDJGGTIPL-UHFFFAOYSA-N
INCHI
1S/C8H10S/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
異性体SMILES
CC1=CC(=C(C=C1)S)C
WGKドイツ
3
UN番号
1993
分子量
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
分類Thiophenols
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
説明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
3 D構造
インタラクティブ化学構造モデル





証明書(CoA、COO、BSE/TSEと分析図)
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 Type日付商品
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
化学的性質と物理的性質
感度Air Sensitive
屈折率1.569
引火点(°F)136.4 °F
引火点(°C)58 °C
沸点(°C)207-208°C
分子量138.230 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
ソリューション計算機
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