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4-(methylsulfanyl)piperidine hydrochloride - 97%, high purity , CAS No.208245-70-9
Discover 4-(methylsulfanyl)piperidine hydrochloride by Aladdin Scientific in 97% for only $876.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
208245-70-9 | 4-METHYLTHIOPIPERIDINE HYDROCHLORIDE | 4-(methylthio)piperidine hydrochloride | 4-METHYLTHIOPIPERIDINE HCL | 4-(methylsulfanyl)piperidine hydrochloride | 4-methylsulfanylpiperidine;hydrochloride | 4-Methylsulfanyl-piperidine x hcl | MFCD13188535 | 4-Methyls
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Piperidines
Alternative Parents
Sulfenyl compounds Dialkylthioethers Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Piperidine - Azacycle - Dialkylthioether - Sulfenyl compound - Thioether - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organosulfur compound - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
4-methylsulfanylpiperidine;hydrochloride
INCHI
InChI=1S/C6H13NS.ClH/c1-8-6-2-4-7-5-3-6;/h6-7H,2-5H2,1H3;1H
InChIKey
VXAYZGLCMOYQFU-UHFFFAOYSA-N
Smiles
CSC1CCNCC1.Cl
Isomeric SMILES
CSC1CCNCC1.Cl
Molecular Weight
167.7
Reaxy-Rn
20900045
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20900045&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
167.700 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
167.054 Da
Monoisotopic Mass
167.054 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
9
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
2
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