1,3-Benzenedimethanethiol - ≥98% , CAS No.41563-69-3

CAS: 41563-69-3 Cat. No.: B101800 Summenformel: C6H4(CH2SH)2 Molekulargewicht: 170.3 EG-Nummer: 623-593-3
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GRADE & PURITY ≥98%
Synonyms
SCHEMBL126157 | T70899 | DTXSID50342987 | B74 | MFCD00012311 | m-Xylene-.alpha.,.alpha.'-dithiol | B3854 | 1,3-phenylenedimethanethiol | 1,3-Benzenedimethanethiol | JSNABGZJVWSNOB-UHFFFAOYSA-N | 1,3-Bis(mercaptomethyl)benzene | 1,3-Benzenedimethanethiol,
Storage
Room temperature
Shipped In
Normal
★
Size
Deutschland (EU)
USA*
Price
Qty
250mg
B101800-250mg
—
6 Auf Lager
18,14€
1g
B101800-1g
—
5 Auf Lager
52,85€
5g
B101800-5g
—
4 Auf Lager
156,97€
25g
B101800-25g
—
2 Auf Lager
445,93€
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
SCHEMBL126157 | T70899 | DTXSID50342987 | B74 | MFCD00012311 | m-Xylene-.alpha.,.alpha.'-dithiol | B3854 | 1,3-phenylenedimethanethiol | 1,3-Benzenedimethanethiol | JSNABGZJVWSNOB-UHFFFAOYSA-N | 1,3-Bis(mercaptomethyl)benzene | 1,3-Benzenedimethanethiol,
Spezifikationen & Reinheit
≥98%
Storage
Room temperature
Verschickt in
Normal
Reinheit
≥98%
Namen und Kennungen
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488190470
Kanonisches Lächeln
C1=CC(=CC(=C1)CS)CS
IUPAC Name
[3-(sulfanylmethyl)phenyl]methanethiol
InChIKey
JSNABGZJVWSNOB-UHFFFAOYSA-N
INCHI
1S/C8H10S2/c9-5-7-2-1-3-8(4-7)6-10/h1-4,9-10H,5-6H2
Isomere SMILES
C1=CC(=CC(=C1)CS)CS
WGK Deutschland
3
Molekulargewicht
170.3
Reaxy-Rn
1364033
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1364033&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
KlasseBenzene and substituted derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzene and substituted derivatives
Alternative Parents Alkylthiols  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Monocyclic benzene moiety - Alkylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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.

10 results found

Lot NumberCertificate TypeDatumArtikel
E1803081Certificate of AnalysisDec 09, 2025 B101800
E1803082Certificate of AnalysisDec 09, 2025 B101800
C1802055Certificate of AnalysisOct 17, 2025 B101800
C1802056Certificate of AnalysisOct 13, 2025 B101800
I1713019Certificate of AnalysisApr 08, 2025 B101800
D1312065Certificate of AnalysisJan 17, 2025 B101800
B2324143Certificate of AnalysisJan 29, 2023 B101800
B2324159Certificate of AnalysisJan 29, 2023 B101800
B2324160Certificate of AnalysisJan 29, 2023 B101800
B2324243Certificate of AnalysisJan 29, 2023 B101800
Chemische und physikalische Eigenschaften
EmpfindlichkeitAir Sensitive
Brechungsindex1.6207
Flammpunkt (°F)235.4 °F
Flammpunkt (°C)113 °C
Siedepunkt (°C)168-170°C/25mmHg
Molekulargewicht170.300 g/mol
XLogP32.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass170.022 Da
Monoisotopic Mass170.022 Da
Topological Polar Surface Area2.000 Ų
Heavy Atom Count10
Formal Charge0
Complexity83.300
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
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