Skip to the beginning of the images gallery

N-methylthian-4-amine - ≥95%, high purity , CAS No.220640-14-2

COA

Grade & Purity:

≥95%

Cas Number: 220640-14-2
Molecular Weight: 167.7
PubChem CID: 21709907

In stock

Item Number

N691526

Grouped product items
SKU	Size	Availability	Price	Qty
N691526-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$174.90
N691526-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$537.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thianes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thianes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thianes
Alternative Parents	Dialkylthioethers Dialkylamines Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Thiane - Dialkylthioether - Thioether - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thianes. These are heterocyclic compounds containing a saturated six-member ring with five carbon atoms 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	N-methylthian-4-amine
INCHI	InChI=1S/C6H13NS/c1-7-6-2-4-8-5-3-6/h6-7H,2-5H2,1H3
InChIKey	ZPKZOGQAVBTWOZ-UHFFFAOYSA-N
Smiles	CNC1CCSCC1
Isomeric SMILES	CNC1CCSCC1
PubChem CID	21709907
Molecular Weight	167.7

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	131.240 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	131.077 Da
Monoisotopic Mass	131.077 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	59.500
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration