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1-(4，5-Dihydrothiazol-2-yl)azetidine-3-thiol hydrochloride - ≥98%, high purity , CAS No.179337-57-6

COA

Grade & Purity:

≥98%

Cas Number: 179337-57-6
Molecular Weight: 210.75
PubChem CID: 11974883

In stock

Item Number

A726403

Grouped product items
SKU	Size	Availability	Price	Qty
A726403-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$61.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azolines
    - Subclass Thiazolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azolines
Subclass	Thiazolines
Intermediate Tree Nodes	Not available
Direct Parent	Thiazolines
Alternative Parents	Quaternary ammonium salts Azetidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Alkylthiols Organic zwitterions Organic chloride salts Hydrocarbon derivatives Amines
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Quaternary ammonium salt - Meta-thiazoline - Azetidine - Alkylthiol - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic chloride salt - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiazolines. These are heterocyclic compounds containing a five-member unsaturated aliphatic ring with one nitrogen atom, one sulfur atom, three carbon 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

Names and Identifiers

IUPAC Name	1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-3-thiol;hydrochloride
INCHI	InChI=1S/C6H10N2S2.ClH/c9-5-3-8(4-5)6-7-1-2-10-6;/h5,9H,1-4H2;1H
InChIKey	WLQPQHGYHHHITD-UHFFFAOYSA-N
Smiles	C1CSC(=N1)N2CC(C2)S.Cl
Isomeric SMILES	C1CSC(=N1)N2CC(C2)S.Cl
PubChem CID	11974883
Molecular Weight	210.75

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	210.800 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	210.005 Da
Monoisotopic Mass	210.005 Da
Topological Polar Surface Area	41.900 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	163.000
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	2

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