Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Klasse	Benzothiophenes
Subclass	1-benzothiophenes
Intermediate Tree Nodes	Not available
Direct Parent	1-benzothiophenes
Alternative Parents	2,3,5-trisubstituted thiophenes Benzenoids Aryl iodides Heteroaromatic compounds Organoiodides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1-benzothiophene - 2,3,5-trisubstituted thiophene - Benzenoid - Aryl iodide - Aryl halide - Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Aromatic heteropolycyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
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

3D-Struktur

Zugehörige Ziele (nicht menschlich)

Iap Intestinal alkaline phosphatase (419 Activities)

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

Wirkungsmechanismen

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Datum	Artikel
B2304303	Certificate of Analysis	Nov 10, 2025	I169943
B2304239	Certificate of Analysis	Nov 10, 2025	I169943
B2304231	Certificate of Analysis	Nov 10, 2025	I169943
B2304245	Certificate of Analysis	Oct 30, 2025	I169943
C2514409	Certificate of Analysis	Nov 14, 2022	I169943

Chemische und physikalische Eigenschaften

Empfindlichkeit	Light sensitive
Schmelzpunkt (°C)	58-63 °C
Molekulargewicht	260.100 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	259.916 Da
Monoisotopic Mass	259.916 Da
Topological Polar Surface Area	28.200 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	126.000
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

FAQs und Artikel

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Lösungsrechner

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Bewertungen

Pubchem Sid	504766463
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504766463
Kanonisches Lächeln	C1=CC=C2C(=C1)C=C(S2)I
IUPAC Name	2-iodo-1-benzothiophene
InChIKey	XNCFWDHWACGQBN-UHFFFAOYSA-N
INCHI	1S/C8H5IS/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H
Isomere SMILES	C1=CC=C2C(=C1)C=C(S2)I
WGK Deutschland	3
Molekulargewicht	260.09
Reaxy-Rn	113130
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=113130&ln=

2-Iodobenzothiophene - ≥97% , CAS No.36748-89-7

Specifications