4,7-Di(2-thienyl)-2,1,3-benzothiadiazole - ≥98% , CAS No.165190-76-1

Name: 4,7-Di(2-thienyl)-2,1,3-benzothiadiazole - ≥98% , CAS No.165190-76-1
Brand: Aladdin Scientific
SKU: D155549
Availability: InStock

CAS: 165190-76-1 Cat. No.: D155549 Molecular Weight: 300.41

COA

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4,7-Di(2-thienyl)-2,1,3-benzothiadiazole - ≥98% CAS No(165190-76-1) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Solution Calculators Reviews

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Why this grade

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

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Storage & shipping

Protected from light,Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid	488189679
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488189679
Canonical Smiles	C1=CSC(=C1)C2=CC=C(C3=NSN=C23)C4=CC=CS4
IUPAC Name	4,7-dithiophen-2-yl-2,1,3-benzothiadiazole
InChIKey	XGERJWSXTKVPSV-UHFFFAOYSA-N
INCHI	1S/C14H8N2S3/c1-3-11(17-7-1)9-5-6-10(12-4-2-8-18-12)14-13(9)15-19-16-14/h1-8H
Isomeric SMILES	C1=CSC(=C1)C2=CC=C(C3=NSN=C23)C4=CC=CS4
Molecular Weight	300.41
Reaxy-Rn	7302089
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7302089&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
  - Class Benzothiadiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiadiazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzothiadiazoles
Alternative Parents	Benzenoids Thiophenes Thiadiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2,1,3-benzothiadiazole - Benzenoid - Heteroaromatic compound - Thiophene - Thiadiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzothiadiazoles. These are heterocyclic aromatic compounds containing a benzene ring fused to a thiadiazole ring. Thiadiazole is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen atoms.
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 Structure

Associated Targets(Human)

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
B2224572	Certificate of Analysis	Dec 10, 2025	D155549
B2224576	Certificate of Analysis	Dec 10, 2025	D155549
B2224583	Certificate of Analysis	Dec 10, 2025	D155549
I2411112	Certificate of Analysis	Jun 11, 2024	D155549
I2411113	Certificate of Analysis	Jun 11, 2024	D155549
C2517080	Certificate of Analysis	Jan 15, 2022	D155549

Sensitivity	light sensitive
Melt Point(°C)	122.0 to 126.0 °C
Molecular Weight	300.400 g/mol
XLogP3	4.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	299.985 Da
Monoisotopic Mass	299.985 Da
Topological Polar Surface Area	111.000 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	298.000
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