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Benzo[c][1，2，5]thiadiazol-5-ylmethanol - ≥95%, high purity , CAS No.89795-51-7

COA

Grade & Purity:

≥95%

Cas Number: 89795-51-7
PubChem CID: 2776294

In stock

Item Number

B700882

Grouped product items
SKU	Size	Availability	Price
B700882-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$141.90
B700882-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$368.90
B700882-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,597.90

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	Benzenoids Thiadiazoles Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2,1,3-benzothiadiazole - Benzenoid - Azole - Thiadiazole - Heteroaromatic compound - Azacycle - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen 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	2,1,3-benzothiadiazol-5-ylmethanol
INCHI	InChI=1S/C7H6N2OS/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-3,10H,4H2
InChIKey	XJUBKVSCNJIWMB-UHFFFAOYSA-N
Smiles	C1=CC2=NSN=C2C=C1CO
Isomeric SMILES	C1=CC2=NSN=C2C=C1CO
Alternate CAS	89795-51-7
PubChem CID	2776294

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	166.200 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	166.02 Da
Monoisotopic Mass	166.02 Da
Topological Polar Surface Area	74.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	144.000
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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