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4-Chloro-2-Mercaptobenzothiazole - 97%, high purity , CAS No.1849-65-6

COA

Grade & Purity:

≥97%

Cas Number: 1849-65-6
Molecular Weight: 201.701
PubChem CID: 22017113

In stock

Item Number

C191729

Grouped product items
SKU	Size	Availability	Price
C191729-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$18.90
C191729-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90
C191729-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$219.90

Basic Description

Synonyms	4-Chlorobenzo[d]thiazole-2-thiol \| 1849-65-6 \| 4-CHLORO-2-MERCAPTOBENZOTHIAZOLE \| 4-chloro-3H-1,3-benzothiazole-2-thione \| CHEMBL4854026 \| 2(3H)-Benzothiazolethione, 4-chloro- \| SCHEMBL3096248 \| DTXSID40621551 \| MYBFPRUVQGKNIV-UHFFFAOYSA-N \| BDBM50570905 \| MFCD06408878 \| AKOS0
Specifications & Purity	≥97%
Storage Temp	Room temperature
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 Aryl chlorides Thiazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,3-benzothiazole - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen 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

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	4-chloro-3H-1,3-benzothiazole-2-thione
INCHI	InChI=1S/C7H4ClNS2/c8-4-2-1-3-5-6(4)9-7(10)11-5/h1-3H,(H,9,10)
InChIKey	MYBFPRUVQGKNIV-UHFFFAOYSA-N
Smiles	C1=CC2=C(C(=C1)Cl)NC(=S)S2
Isomeric SMILES	C1=CC2=C(C(=C1)Cl)NC(=S)S2
Molecular Weight	201.701
Reaxy-Rn	1103025
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1103025&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°C)	153 ºC
Boil Point(°C)	329 ºC
Melt Point(°C)	209-210 ºC
Molecular Weight	201.700 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	200.947 Da
Monoisotopic Mass	200.947 Da
Topological Polar Surface Area	69.400 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	185.000
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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