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3-thia-9-azabicyclo[3.3.1]nonan-7-one hydrochloride - 97%, high purity , CAS No.1523572-09-9
Discover 3-thia-9-azabicyclo[3.3.1]nonan-7-one hydrochloride by Aladdin Scientific in 97% for only $1,869.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
3-thia-9-azabicyclo[3.3.1]nonan-7-one hydrochloride | 1523572-09-9 | 1205682-24-1 | 3-Thia-9-azabicyclo[3.3.1]nonan-7-one HCl | 3-thia-9-azabicyclo[3.3.1]nonan-7-one;hydrochloride | 3-Thia-9-azabicyclo[3.3.1]-nonan-7-one hydrochloride | MFCD23106388 | SCHEMBL16237016 | Y
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Piperidinones
Intermediate Tree Nodes
Not available
Direct Parent
Piperidinones
Alternative Parents
Thiomorpholines Cyclic ketones Dialkylthioethers Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Piperidinone - 1,4-thiazinane - Ketone - Cyclic ketone - Secondary aliphatic amine - Secondary amine - Thioether - Dialkylthioether - Azacycle - Carbonyl group - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organic nitrogen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as piperidinones. These are compounds containing a piperidine ring which bears a ketone.
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
3-thia-9-azabicyclo[3.3.1]nonan-7-one;hydrochloride
INCHI
InChI=1S/C7H11NOS.ClH/c9-7-1-5-3-10-4-6(2-7)8-5;/h5-6,8H,1-4H2;1H
InChIKey
AYCJGXINWJJNJQ-UHFFFAOYSA-N
Smiles
C1C2CSCC(N2)CC1=O.Cl
Isomeric SMILES
C1C2CSCC(N2)CC1=O.Cl
PubChem CID
72207672
Molecular Weight
193.694
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
193.700 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
193.033 Da
Monoisotopic Mass
193.033 Da
Topological Polar Surface Area
54.400 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
146.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
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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