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3-(aminomethyl)-1λ⁶-thiolane-1,1-dione hydrochloride - 97%, high purity , CAS No.3193-51-9

COA

Grade & Purity:

≥97%

Cas Number: 3193-51-9
Molecular Weight: 185.67
MDL number: MFCD03038111
PubChem CID: 11286884

In stock

Item Number

T635878

Grouped product items
SKU	Size	Availability	Price	Qty
T635878-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$248.90
T635878-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,236.90

Basic Description

Synonyms	A875763 \| MFCD00195963 \| EN300-31244 \| F1294-0083 \| [(1,1-Dioxidotetrahydro-3-thienyl)methyl]amine hydrochloride \| (1,1-dioxo-tetrahydro-1lambda6-thiophen-3-yl)-methylamine hydrochloride, AldrichCPR \| 3-(aminomethyl)-1lambda6-thiolane-1,1-dione hydrochlor
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiolanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiolanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thiolanes
Alternative Parents	Sulfones Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Thiolane - Sulfone - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiolanes. These are organic compounds containing thiolane, a five-member saturated ring containing four carbon atoms and a 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	(1,1-dioxothiolan-3-yl)methanamine;hydrochloride
INCHI	InChI=1S/C5H11NO2S.ClH/c6-3-5-1-2-9(7,8)4-5;/h5H,1-4,6H2;1H
InChIKey	LAPURRGGAAHWRW-UHFFFAOYSA-N
Smiles	C1CS(=O)(=O)CC1CN.Cl
Isomeric SMILES	C1CS(=O)(=O)CC1CN.Cl
Alternate CAS	3193-51-9
PubChem CID	11286884
Molecular Weight	185.67

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	185.670 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	185.028 Da
Monoisotopic Mass	185.028 Da
Topological Polar Surface Area	68.500 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	180.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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