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4-Penten-1-yl Isothiocyanate - ≥95%(GC) , CAS No.18060-79-2

4-Penten-1-yl Isothiocyanate - ≥95%(GC) , CAS No.18060-79-2

Name: 4-Penten-1-yl Isothiocyanate - ≥95%(GC) , CAS No.18060-79-2
Brand: Aladdin Scientific
SKU: P160463
Availability: InStock

CAS: 18060-79-2 Cat. No.: P160463 Peso molecular: 127.21 Número EC: 678-555-9 PubChem CID: 87436

1 Citations COA

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4-Penten-1-yl Isothiocyanate - ≥95%(GC) CAS No(18060-79-2) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥95%(GC)

Synonyms

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Citations of This Product Referencias Calculadoras de soluciones Reseñas

🧪

Why this grade

≥95%(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

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

Sonrisas canónicas	C=CCCCN=C=S
IUPAC Name	5-isothiocyanatopent-1-ene
InChIKey	DBISBKDNOKIADM-UHFFFAOYSA-N
INCHI	1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2
Isómeros SMILES	C=CCCCN=C=S
PubChem CID	87436
Peso molecular	127.21

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
  - Clase Isothiocyanates

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Clase	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
Descripción	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

Estructura 3D

Objetivos asociados (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

Objetivos asociados (no 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 acción

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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.

9 results found

Lot Number	Certificate Type	Fecha	Articulo
K2108707	Certificate of Analysis	Aug 12, 2025	P160463
G1901165	Certificate of Analysis	Apr 17, 2023	P160463
E23101006	Certificate of Analysis	Dec 30, 2022	P160463
E23101023	Certificate of Analysis	Dec 30, 2022	P160463
E23101065	Certificate of Analysis	Dec 30, 2022	P160463
K2225089	Certificate of Analysis	Dec 10, 2022	P160463
J2228477	Certificate of Analysis	Oct 11, 2022	P160463
J2228482	Certificate of Analysis	Oct 11, 2022	P160463
J2228511	Certificate of Analysis	Oct 11, 2022	P160463

Propiedades químicas y físicas

Sensibilidad	Moisture sensitive
Índice de refracción	1.52
Punto de inflamación (°C)	58 °C
Punto de ebullición (°C)	194 °C
Peso molecular	127.210 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	127.046 Da
Monoisotopic Mass	127.046 Da
Topological Polar Surface Area	44.500 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	103.000
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

Citations of This Product

How to Cite Aladdin Scientific Products? Citations Search

Referencias

1. Tian-Lin Wu, Yong-Mei Hu, Yu Sun, Zhi-Jun Zhang, Zheng-Rong Wu, Wen-Bin Zhao, Chen Tang, Sha-Sha Du, Ying-Hui He, Yue Ma, Cheng-Jie Yang, Ying-Qian Liu. (2022) Insights into the mode of action of 2-(4-methoxyphenyl)ethyl isothiocyanate on Aspergillus niger. FOOD CONTROL, [PMID:] [10.1016/j.foodcont.2022.108871]

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