4-(Methylthio)benzonitrile - ≥98% , CAS No.21382-98-9

CAS: 21382-98-9 Cat. No.: M101849 Fórmula: C8H7NS Peso molecular: 149.21 Número CE: 628-745-2
Disponível para encomenda
GRADE & PURITY ≥98%
Synonyms
SCHEMBL1145161 | 4-cyanothioanisole | 4-cyano-thioanisole | J-513777 | WAA38298 | Benzonitrile, 4-(methylthio)- | 4-Methylthio benzonitrile | L-alpha-Aminopropionate | FT-0616818 | EN300-185376 | STL253599 | 4-(Methylsulfanyl)benzonitrile # | MFCD00010381
Storage
Room temperature
Shipped In
Normal
★
Size
Alemanha (EU)
USA*
Price
Qty
1g
M101849-1g
—
5 Em stock

9,46€

14,66€
Gravar 5,21 € (35.50%)
5g
M101849-5g
—
4 Em stock

31,15€

46,77€
Gravar 15,62 € (33.40%)
25g
M101849-25g
—
1 Em stock

97,97€

147,43€
Gravar 49,46 € (33.55%)
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.

Visão geral

General description:

Surface-enhanced Raman scattering of 4-(methylthio)benzonitrile adsorbed on silver surface has been investigated.


application:
4-(Methylthio)benzonitrile was used in the preparation of 4-cyanobenzenethiol.

Specifications

Sinónimos
SCHEMBL1145161 | 4-cyanothioanisole | 4-cyano-thioanisole | J-513777 | WAA38298 | Benzonitrile, 4-(methylthio)- | 4-Methylthio benzonitrile | L-alpha-Aminopropionate | FT-0616818 | EN300-185376 | STL253599 | 4-(Methylsulfanyl)benzonitrile # | MFCD00010381
Especificações e pureza
≥98%
Condições de armazenamento de armazenamento
Room temperature
Enviado em
Normal
Pureza
≥98%
Nomes e identificadores
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488190520
Sorrisos canónicos
CSC1=CC=C(C=C1)C#N
IUPAC Name
4-methylsulfanylbenzonitrile
InChIKey
RPVGEEHGKIFQFO-UHFFFAOYSA-N
INCHI
1S/C8H7NS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3
SMILES isoméricas
CSC1=CC=C(C=C1)C#N
WGK Alemanha
3
Número UN
3439
Peso molecular
149.21
Reaxy-Rn
2079565
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2079565&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
ClasseBenzene and substituted derivatives
SubclassBenzonitriles
Intermediate Tree Nodes Not available
Direct ParentBenzonitriles
Alternative Parents Thiophenol ethers  Alkylarylthioethers  Sulfenyl compounds  Nitriles  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Aryl thioether - Thiophenol ether - Benzonitrile - Alkylarylthioether - Sulfenyl compound - Thioether - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
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.

8 results found

Lot NumberCertificate TypeDataItem
A2211390Certificate of AnalysisOct 21, 2025 M101849
A2211409Certificate of AnalysisOct 21, 2025 M101849
A2211857Certificate of AnalysisOct 21, 2025 M101849
D2315835Certificate of AnalysisMar 27, 2023 M101849
D2315837Certificate of AnalysisMar 27, 2023 M101849
D2315841Certificate of AnalysisMar 27, 2023 M101849
D2315878Certificate of AnalysisMar 27, 2023 M101849
D2315883Certificate of AnalysisMar 27, 2023 M101849
Propriedades químicas e físicas
SolubilidadeInsoluble in water
Ponto de ebulição (°C)272°C
Ponto de fusão (°C)59-64 °C
Peso molecular149.210 g/mol
XLogP32.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass149.03 Da
Monoisotopic Mass149.03 Da
Topological Polar Surface Area49.100 Ų
Heavy Atom Count10
Formal Charge0
Complexity139.000
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
Calculadoras de soluções
Revisões

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