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2-Propenethioamide, 3-(4-bromophenyl)-2-cyano-, (E)- - ≥98% , CAS No.68029-54-9

2-Propenethioamide, 3-(4-bromophenyl)-2-cyano-, (E)- - ≥98% , CAS No.68029-54-9

Name: 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano-, (E)- - ≥98% , CAS No.68029-54-9
SKU: P1241550
Availability: InStock

CAS: 68029-54-9 Cat. No.: P1241550 Fórmula: C₁₀H₇BrN₂S Peso molecular: 267.15

COA

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Disponível para encomenda

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Calculadoras de soluções Revisões

🧪

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

C1=CC(=CC=C1/C=C(\C#N)/C(=S)N)Br

IUPAC Name

(E)-3-(4-bromophenyl)-2-cyanoprop-2-enethioamide

InChIKey

JOJTVFIVYQYWGX-VMPITWQZSA-N

INCHI

1S/C10H7BrN2S/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H2,13,14)/b8-5+

Peso molecular

267.15

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

Kingdom Organic compounds
- Superclass Benzenoids
  - Classe Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Bromobenzenes
Alternative Parents	Aryl bromides Thioamides Thiocarboxylic acid amides Nitriles Thiocarbonyl compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Bromobenzene - Aryl bromide - Aryl halide - Thioamide - Carbonitrile - Nitrile - Thiocarboxylic acid amide - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organopnictogen compound - Thiocarbonyl group - Aromatic homomonocyclic compound
Descrição	This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Estrutura 3D

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propriedades químicas e físicas

Peso molecular	267.150 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	265.951 Da
Monoisotopic Mass	265.951 Da
Topological Polar Surface Area	81.900 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	294.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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Revisões

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