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Azepane-1-carbothioamide - ≥97% , CAS No.68881-66-3

Azepane-1-carbothioamide - ≥97% , CAS No.68881-66-3

Name: Azepane-1-carbothioamide - ≥97% , CAS No.68881-66-3
SKU: A479368
Availability: InStock

CAS: 68881-66-3 Cat. No.: A479368 Fórmula: C₇H₁₄N₂S Peso molecular: 158.26

COA

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Disponível para encomenda

GRADE & PURITY ≥97%

Synonyms

Storage

Room temperature

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

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

🌡

Storage & shipping

Room temperature Ships 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

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488198112

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198112

Sorrisos canónicos

C1CCCN(CC1)C(=S)N

IUPAC Name

azepane-1-carbothioamide

InChIKey

QSQNPWDEVCHJJC-UHFFFAOYSA-N

INCHI

1S/C7H14N2S/c8-7(10)9-5-3-1-2-4-6-9/h1-6H2,(H2,8,10)

SMILES isoméricas

C1CCCN(CC1)C(=S)N

Peso molecular

158.26

Reaxy-Rn

1072299

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1072299&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

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Classe Azepanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Classe	Azepanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Azepanes
Alternative Parents	Thioureas Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Azepane - Thiourea - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
Descrição	This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen atom.
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:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Data	Item
E2320047	Certificate of Analysis	Apr 17, 2023	A479368
E2320048	Certificate of Analysis	Apr 17, 2023	A479368
E2320050	Certificate of Analysis	Apr 17, 2023	A479368
E2320051	Certificate of Analysis	Apr 17, 2023	A479368
I2504030	Certificate of Analysis	Apr 17, 2023	A479368

Propriedades químicas e físicas

Peso molecular	158.270 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	158.088 Da
Monoisotopic Mass	158.088 Da
Topological Polar Surface Area	61.400 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	117.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Calculadoras de soluções

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Revisões

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