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Por Target (DTO)
Canal iónico
Subfamília V do canal catiónico do potencial recetor transitório membro 1 (TRPV1)
sec-Butyl Isothiocyanate - ≥98%(GC) , CAS No.4426-79-3

sec-Butyl Isothiocyanate - ≥98%(GC) , CAS No.4426-79-3

Name: sec-Butyl Isothiocyanate - ≥98%(GC) , CAS No.4426-79-3
SKU: B140604
Availability: InStock

CAS: 4426-79-3 Cat. No.: B140604 Fórmula: C₅H₉NS Peso molecular: 115.19 Número CE: 224-609-8

1 Citations COA

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sec-Butyl Isothiocyanate - ≥98%(GC) CAS No(4426-79-3) by Aladdin Scientific

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Disponível para encomenda

GRADE & PURITY ≥98%(GC)

Synonyms

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Alvos associados (humanos) Alvos associados (não humanos) Mecanismos de ação Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Citations of This Product Calculadoras de soluções Revisões

🧪

Why this grade

≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Argon charged,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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

508813499

Sorrisos canónicos

CCC(C)N=C=S

IUPAC Name

2-isothiocyanatobutane

InChIKey

TUFJIDJGIQOYFY-UHFFFAOYSA-N

INCHI

1S/C5H9NS/c1-3-5(2)6-4-7/h5H,3H2,1-2H3

SMILES isoméricas

CCC(C)N=C=S

Peso molecular

115.19

Reaxy-Rn

1720744

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720744&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 Organosulfur compounds
  - Classe Isothiocyanates

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Classe	Isothiocyanates
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Isothiocyanates
Alternative Parents	Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
Descrição	This compound belongs to the class of organic compounds known as isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S.
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

Alvos associados (humanos)

TRPA1 Tclin Transient receptor potential cation channel subfamily A member 1 (1 Activities)

Discover Target: TRPA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay 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.

2 results found

Lot Number	Certificate Type	Data	Item
J2130420	Certificate of Analysis	Aug 11, 2025	B140604
J1628088	Certificate of Analysis	Aug 19, 2024	B140604

Propriedades químicas e físicas

Sensibilidade	Moisture sensitive ;air sensitive
Índice de refração	1.49
Ponto de inflamação (°C)	44 °C
Ponto de ebulição (°C)	159°C
Peso molecular	115.200 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	115.046 Da
Monoisotopic Mass	115.046 Da
Topological Polar Surface Area	44.500 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	84.100
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products? Citations Search

Calculadoras de soluções

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Revisões

📚 Citations by Application

Extraction & workup solvent1

Organic synthesis — reaction medium1

View all 1 citations →

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