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2-Mercaptobenzo[d]thiazole-6-carbonitrile - 96%, high purity , CAS No.315228-79-6

COA

Grade & Purity:

≥96%

Cas Number: 315228-79-6
Molecular Weight: 192.26
PubChem CID: 22029197

In stock

Item Number

M192681

Grouped product items
SKU	Size	Availability	Price	Qty
M192681-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90
M192681-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$63.90

Discover 2-Mercaptobenzo[d]thiazole-6-carbonitrile by Aladdin Scientific in 96% for only $19.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-Mercaptobenzo[d]thiazole-6-carbonitrile \| 315228-79-6 \| 2-MERCAPTOBENZOTHIAZOLE-6-CARBONITRILE \| 2-SULFANYLIDENE-3H-1,3-BENZOTHIAZOLE-6-CARBONITRILE \| 6-BENZOTHIAZOLECARBONITRILE,2,3-DIHYDRO-2-THIOXO- \| 2-Sulfanylidene-2,3-dihydro-1,3-benzothiazole-6-carbonitrile
Specifications & Purity	≥96%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzothiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzothiazoles
Alternative Parents	Benzenoids Thiazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organosulfur compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
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

IUPAC Name	2-sulfanylidene-3H-1,3-benzothiazole-6-carbonitrile
INCHI	InChI=1S/C8H4N2S2/c9-4-5-1-2-6-7(3-5)12-8(11)10-6/h1-3H,(H,10,11)
InChIKey	XRIDVJQTZRUCDJ-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1C#N)SC(=S)N2
Isomeric SMILES	C1=CC2=C(C=C1C#N)SC(=S)N2
Molecular Weight	192.26
Reaxy-Rn	35457397
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35457397&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	192.300 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	191.982 Da
Monoisotopic Mass	191.982 Da
Topological Polar Surface Area	93.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	255.000
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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