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5-chloro-3-(chloromethyl)-1,2,4-thiadiazole - 95%, high purity , CAS No.74461-64-6

COA

Grade & Purity:

≥95%

Cas Number: 74461-64-6
Molecular Weight: 169.03
MDL number: MFCD00096470
PubChem CID: 332610

In stock

Item Number

C467398

Grouped product items
SKU	Size	Availability	Price	Qty
C467398-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$171.90

Basic Description

Synonyms	AKOS006230637 \| EN300-91498 \| BB 0260979 \| 5-chloro-3-chloromethyl-1,2,4-thiadiazole \| 5-chloro-3-(chloromethyl)-1,2,4-thiadiazole, 95% \| DTXSID20318417 \| 3-chloromethyl-5-chloro-[1,2,4]thiadiazole \| 3-chloromethyl-5-chloro-[1,2,4]-thiadiazole \| A915625 \|
Specifications & Purity	≥95%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Aryl halides
    - Subclass Aryl chlorides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Aryl halides
Subclass	Aryl chlorides
Intermediate Tree Nodes	Not available
Direct Parent	Aryl chlorides
Alternative Parents	Thiadiazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl chloride - Heteroaromatic compound - Thiadiazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl chlorides. These are organic compounds containing the acyl chloride functional group.
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	5-chloro-3-(chloromethyl)-1,2,4-thiadiazole
INCHI	InChI=1S/C3H2Cl2N2S/c4-1-2-6-3(5)8-7-2/h1H2
InChIKey	FFFMIFUBJZBTCG-UHFFFAOYSA-N
Smiles	C(C1=NSC(=N1)Cl)Cl
Isomeric SMILES	C(C1=NSC(=N1)Cl)Cl
Molecular Weight	169.03
Reaxy-Rn	971183
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=971183&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	169.030 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	167.932 Da
Monoisotopic Mass	167.932 Da
Topological Polar Surface Area	54.000 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	81.700
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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