Name: 2-thiaspiro[3.5]nonan-7-one - ≥97% , CAS No.1557247-28-5
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thietanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thietanes
Alternative Parents	Cyclic ketones Dialkylthioethers Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Cyclic ketone - Thietane - Ketone - Dialkylthioether - Thioether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as thietanes. These are heterocyclic compounds containing a saturated four-member ring with three 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

3D Structure

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	156.250 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	156.061 Da
Monoisotopic Mass	156.061 Da
Topological Polar Surface Area	42.400 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	149.000
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	1

Solution Calculators

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Reviews

Canonical Smiles	C1CC2(CCC1=O)CSC2
IUPAC Name	2-thiaspiro[3.5]nonan-7-one
InChIKey	CVEPOMCOBKPWOE-UHFFFAOYSA-N
INCHI	1S/C8H12OS/c9-7-1-3-8(4-2-7)5-10-6-8/h1-6H2
Isomeric SMILES	C1CC2(CCC1=O)CSC2
Alternate CAS	1557247-28-5
PubChem CID	90037751
Molecular Weight	156.24

2-thiaspiro[3.5]nonan-7-one - ≥97% , CAS No.1557247-28-5

Specifications