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6-Boc-2-thia-6-aza-spiro[3.3]heptane-2,2-dioxide , CAS No.1291487-31-4
Discover 6-Boc-2-thia-6-aza-spiro[3.3]heptane-2,2-dioxide by Aladdin Scientific in for only $97.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1291487-31-4 | 2-THIA-6-AZASPIRO[3.3]HEPTANE, 2,2-DIOXIDE-6-CARBOXYLIC ACID TERT-BUTYL ESTER | TERT-BUTYL 2-THIA-6-AZASPIRO[3.3]HEPTANE-6-CARBOXYLATE 2,2-DIOXIDE | 6-BOC-2-THIA-6-AZA-SPIRO[3.3]HEPTANE-2,2-DIOXIDE | MFCD18839239 | N-BOC-2-thia-6-azaspiro[3.3]heptane
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azetidines
Subclass
Azetidinecarboxylic acids or derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Azetidinecarboxylic acids
Alternative Parents
Sulfones Carbamate esters Thietanes Tertiary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Azetidinecarboxylic acid - Carbamic acid ester - Sulfone - Thietane - Tertiary amine - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring.
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
tert-butyl 2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptane-6-carboxylate
INCHI
InChI=1S/C10H17NO4S/c1-9(2,3)15-8(12)11-4-10(5-11)6-16(13,14)7-10/h4-7H2,1-3H3
InChIKey
SZUIVGVHSGBMMY-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)C2
Isomeric SMILES
CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)C2
Molecular Weight
247.31
Reaxy-Rn
33524687
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33524687&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
247.310 g/mol
XLogP3
0.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
247.088 Da
Monoisotopic Mass
247.088 Da
Topological Polar Surface Area
72.100 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
395.000
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
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