2,5-Dimethylbenzenethiol - ≥98% , CAS No.4001-61-0

CAS: 4001-61-0 Cat. No.: D101775 분자식: (CH3)2C6H3SH 분자량: 138.23 Beilstein Registry Number: 6(4)3170 EC 번호: 223-649-3
주문 가능
GRADE & PURITY ≥98%
Synonyms
2,5-Xylenethiol | 2,5-Dimethylbenzenethiol # | DTXSID801009322 | 9-(gamma-Methylaminopropyl)-9,10-dihydro-9,10-ethanoanthracene hydrochloride | DTXSID3063259 | 2,5-dimethylbenzene-1-thiol | EN300-20977 | p-Xylenethiol | 2,5-Dimethylbenzenethiol | 2,5-dime
Storage
Argon charged,Room temperature
Shipped In
Normal
★
Size
USA
독일 (EU)*
Price
Qty
5g
D101775-5g
1 재고 있음
—
US$49.90
25g
D101775-25g
2 재고 있음
—
US$142.90
100g
D101775-100g
2 재고 있음
—
US$243.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

2,5-Dimethylbenzenethiol was used in the synthesis of poly(2-dodecanoylsulfanyl-p-phenylenevinylene). It was also used in the synthesis of 1,1,2-trichloro-4-(2,5-dimethylphenylthio)-1-buten-3-yne; 1,1,2,4-tetrachloro-4-(2,5-dimethylphenylthio)-1,3-butadiene and 1,1,2-trichloro-4,4-bis(2,5-dimethylphenylthio)-1,3-butadiene.

Specifications

동의어
2,5-Xylenethiol | 2,5-Dimethylbenzenethiol # | DTXSID801009322 | 9-(gamma-Methylaminopropyl)-9,10-dihydro-9,10-ethanoanthracene hydrochloride | DTXSID3063259 | 2,5-dimethylbenzene-1-thiol | EN300-20977 | p-Xylenethiol | 2,5-Dimethylbenzenethiol | 2,5-dime
사양 및 순도
≥98%
보관 조건
Argon charged,Room temperature
배송
Normal
순수함
≥98%
이름과 식별자
Pubchem Sid528755565
정식 스마일CC1=CC(=C(C=C1)C)S
IUPAC Name2,5-dimethylbenzenethiol
InChIKeyNHAUBUMQRJWWAT-UHFFFAOYSA-N
INCHI1S/C8H10S/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
이성체 SMILES CC1=CC(=C(C=C1)C)S
WGK 독일 3
분자량 138.23
Beilstein 6(4)3170
Reaxy-Rn 2040348
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2040348&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 p-Xylenes  Thiols  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents P-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





작용 메커니즘
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.

14 results found

Lot NumberCertificate Type날짜항목
K2119505Certificate of AnalysisSep 09, 2025 D101775
K2119530Certificate of AnalysisSep 09, 2025 D101775
K2119595Certificate of AnalysisSep 09, 2025 D101775
G1204031Certificate of AnalysisJan 17, 2025 D101775
F2517224Certificate of AnalysisJun 25, 2024 D101775
F2517225Certificate of AnalysisJun 25, 2024 D101775
F2517240Certificate of AnalysisJun 25, 2024 D101775
B1828083Certificate of AnalysisJun 06, 2023 D101775
I2202397Certificate of AnalysisJul 01, 2022 D101775
I2202410Certificate of AnalysisJul 01, 2022 D101775
I2202411Certificate of AnalysisJul 01, 2022 D101775
K2527104Certificate of AnalysisJul 01, 2022 D101775
K2527105Certificate of AnalysisJul 01, 2022 D101775
F2424511Certificate of AnalysisMay 14, 2021 D101775

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화학 및 물리적 특성
감도air sensitive
동결점(°C)15 °C
굴절률1.5698
발화점(°F)181.4 °F
발화점(°C)83 °C
끓는점(°C)126.3°C/50mmHg
녹는점(°C)15 °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
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