3,4-Dimethylbenzenethiol - ≥98% , CAS No.18800-53-8

CAS: 18800-53-8 Cat. No.: D101776 Summenformel: C8H10S Molekulargewicht: 138.23 Beilstein Registry Number: 6(4)3108 EG-Nummer: 242-587-8
Zu bestellen verfügbar
GRADE & PURITY ≥98%
Synonyms
4-Methylthio-M-Cresol | DTXSID4066418 | 3-methyl 4-methylthiophenol | HMS1783E03 | SCHEMBL91378 | UNII-L4F41SS351 | 3,4-Xylenethiol | Benzenethiol, 3,4-dimethyl- | L4F41SS351 | o-Xylene-4-thiol | 3,4-Dimethylbenzenethiol, 98% | 4-Mercapto-o-xylene | EINEC
Storage
Room temperature
Shipped In
Normal
★
Size
Deutschland (EU)
USA*
Price
Qty
1g
D101776-1g
—
3 Auf Lager
51,98€
5g
D101776-5g
—
1 Auf Lager
104,04€
25g
D101776-25g
—
1 Auf Lager
364,36€
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

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.

Specifications

Synonyme
4-Methylthio-M-Cresol | DTXSID4066418 | 3-methyl 4-methylthiophenol | HMS1783E03 | SCHEMBL91378 | UNII-L4F41SS351 | 3,4-Xylenethiol | Benzenethiol, 3,4-dimethyl- | L4F41SS351 | o-Xylene-4-thiol | 3,4-Dimethylbenzenethiol, 98% | 4-Mercapto-o-xylene | EINEC
Spezifikationen & Reinheit
≥98%
Storage
Room temperature
Verschickt in
Normal
Reinheit
≥98%
Namen und Kennungen
Pubchem Sid508808650
Kanonisches LächelnCC1=C(C=C(C=C1)S)C
IUPAC Name3,4-dimethylbenzenethiol
InChIKeyIDKCKPBAFOIONK-UHFFFAOYSA-N
INCHI1S/C8H10S/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
Isomere SMILES CC1=C(C=C(C=C1)S)C
WGK Deutschland 3
Molekulargewicht 138.23
Beilstein 6(4)3108
Reaxy-Rn 2040353
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2040353&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
KlasseThiophenols
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentThiophenols
Alternative Parents o-Xylenes  Thiols  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents O-xylene - Xylene - Thiophenol - Monocyclic benzene moiety - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
BeschreibungThis 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-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
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.

20 results found

Lot NumberCertificate TypeDatumArtikel
F2624333Certificate of AnalysisJun 27, 2026 D101776
F2624331Certificate of AnalysisJun 27, 2026 D101776
F2624328Certificate of AnalysisJun 27, 2026 D101776
E2430212Certificate of AnalysisMar 11, 2026 D101776
E2430213Certificate of AnalysisMar 11, 2026 D101776
E2430215Certificate of AnalysisMar 11, 2026 D101776
A2623022Certificate of AnalysisJan 30, 2026 D101776
D2525192Certificate of AnalysisMar 14, 2025 D101776
D2525193Certificate of AnalysisMar 14, 2025 D101776
D2525194Certificate of AnalysisMar 14, 2025 D101776
E2430211Certificate of AnalysisMay 22, 2024 D101776
E2430214Certificate of AnalysisMay 22, 2024 D101776
E2430242Certificate of AnalysisMay 22, 2024 D101776
E2430243Certificate of AnalysisMay 22, 2024 D101776
H2120236Certificate of AnalysisMay 12, 2023 D101776
H2208033Certificate of AnalysisMar 04, 2022 D101776
C2211568Certificate of AnalysisMar 04, 2022 D101776
C2211567Certificate of AnalysisMar 04, 2022 D101776
C2211566Certificate of AnalysisMar 04, 2022 D101776
C2211563Certificate of AnalysisMar 04, 2022 D101776

Show more ⌵

Chemische und physikalische Eigenschaften
Brechungsindex1.5736
Flammpunkt (°F)194 °F
Flammpunkt (°C)90 °C
Siedepunkt (°C)218°C
Molekulargewicht138.230 g/mol
XLogP33.300
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
Lösungsrechner
Bewertungen

Kundenbewertungen

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.