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5-Nitrobenzo[c][1，2，5]thiadiazole - ≥95%, high purity , CAS No.16252-88-3

COA

Grade & Purity:

≥95%

Cas Number: 16252-88-3
Molecular Weight: 181.17
PubChem CID: 297897

In stock

Item Number

N697247

Grouped product items
SKU	Size	Availability	Price
N697247-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$559.90
N697247-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$950.90
N697247-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,117.90

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	Nitroaromatic compounds Benzenoids Thiadiazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2,1,3-benzothiadiazole - Nitroaromatic compound - Benzenoid - Azole - Thiadiazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	5-nitro-2,1,3-benzothiadiazole
INCHI	InChI=1S/C6H3N3O2S/c10-9(11)4-1-2-5-6(3-4)8-12-7-5/h1-3H
InChIKey	BXZPSERJJMAPSV-UHFFFAOYSA-N
Smiles	C1=CC2=NSN=C2C=C1[N+](=O)[O-]
Isomeric SMILES	C1=CC2=NSN=C2C=C1[N+](=O)[O-]
PubChem CID	297897
Molecular Weight	181.17

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	181.170 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	180.995 Da
Monoisotopic Mass	180.995 Da
Topological Polar Surface Area	99.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	196.000
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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