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2，1，3-Benzothiadiazole-4，7-dicarbonitrile - ≥98%, high purity , CAS No.20138-79-8

COA

Grade & Purity:

≥98%

Cas Number: 20138-79-8
Molecular Weight: 186.19328
PubChem CID: 12196952

In stock

Item Number

B770617

Grouped product items
SKU	Size	Availability	Price
B770617-20mg	20mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$225.90
B770617-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$545.90
B770617-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,724.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

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 Thiadiazoles Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2,1,3-benzothiadiazole - Benzenoid - Heteroaromatic compound - Thiadiazole - Azole - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - 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

Names and Identifiers

INCHI	InChI=1S/C8H2N4S/c9-3-5-1-2-6(4-10)8-7(5)11-13-12-8/h1-2H
InChIKey	POMSJEIURSYOHQ-UHFFFAOYSA-N
Smiles	C1=C(C2=NSN=C2C(=C1)C#N)C#N
Isomeric SMILES	C1=C(C2=NSN=C2C(=C1)C#N)C#N
Molecular Weight	186.19328

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	403.2±30.0°C(Predicted)
Molecular Weight	186.200 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	186 Da
Monoisotopic Mass	186 Da
Topological Polar Surface Area	102.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	268.000
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

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