2-Ethynylbenzothiazole - ≥97% , CAS No.40176-80-5

CAS: 40176-80-5 Cat. No.: E303655 Fórmula: C9H5NS Peso molecular: 159.21 Número CE: 887-836-7
Disponível para encomenda
GRADE & PURITY ≥97%
Synonyms
EN300-107722 | MFCD08703599 | 2-ethynylbenzo[d]thiazole | D90592 | DTXSID20348794 | 2-ethynyl-benzo[d]thiazole | F2167-5012 | benzothiazole, 2-ethynyl- | AKOS006238562 | E1091 | 2-ethynylbenzothiazole | 2-ethynyl-1,3-benzothiazole | InChI=1/C9H5NS/c1-2-9-
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
★
Size
USA
Alemanha (EU)*
Price
Qty
50mg
E303655-50mg
3 Em stock
—

149,90US$

204,90US$
Gravar 55,00 US$ (26.84%)
200mg
E303655-200mg
3 Em stock
—

394,90US$

511,90US$
Gravar 117,00 US$ (22.86%)
1g
E303655-1g
3 Em stock
—

1581,90US$

2049,90US$
Gravar 468,00 US$ (22.83%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads 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

Sinónimos
EN300-107722 | MFCD08703599 | 2-ethynylbenzo[d]thiazole | D90592 | DTXSID20348794 | 2-ethynyl-benzo[d]thiazole | F2167-5012 | benzothiazole, 2-ethynyl- | AKOS006238562 | E1091 | 2-ethynylbenzothiazole | 2-ethynyl-1,3-benzothiazole | InChI=1/C9H5NS/c1-2-9-
Especificações e pureza
≥97%
Condições de armazenamento de armazenamento
Store at -20°C,Argon charged
Enviado em
Ice chest + Ice pads
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Pureza
≥97%
Nomes e identificadores
Pubchem Sid504759690
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504759690
Sorrisos canónicosC#CC1=NC2=CC=CC=C2S1
IUPAC Name2-ethynyl-1,3-benzothiazole
InChIKeyZLVCPVCGNOKHRF-UHFFFAOYSA-N
INCHI1S/C9H5NS/c1-2-9-10-7-5-3-4-6-8(7)11-9/h1,3-6H
SMILES isoméricas C#CC1=NC2=CC=CC=C2S1
Peso molecular 159.21
Reaxy-Rn 1210241
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1210241&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
SuperclassOrganoheterocyclic compounds
ClasseBenzothiazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzothiazoles
Alternative Parents Benzenoids  Thiazoles  Heteroaromatic compounds  Azacyclic compounds  Acetylides  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Acetylide - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
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.

4 results found

Lot NumberCertificate TypeDataItem
C2508136Certificate of AnalysisAug 25, 2022 E303655
K2225383Certificate of AnalysisAug 25, 2022 E303655
K2225405Certificate of AnalysisAug 25, 2022 E303655
K2225406Certificate of AnalysisAug 25, 2022 E303655
Propriedades químicas e físicas
SensibilidadeAir Sensitive,Heat Sensitive
Ponto de fusão (°C)41 °C
Peso molecular159.210 g/mol
XLogP32.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass159.014 Da
Monoisotopic Mass159.014 Da
Topological Polar Surface Area41.100 Ų
Heavy Atom Count11
Formal Charge0
Complexity193.000
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

Avaliações dos Clientes

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