tert-butyl 3-thia-8-azabicyclo[3.2.1]octane-8-carboxylate - ≥97% , CAS No.1520084-33-6

CAS: 1520084-33-6 Cat. No.: T629515 Molecular Weight: 229.34 PubChem CID: 102218596

GRADE & PURITY ≥97%

Synonyms

1520084-33-6 | tert-butyl 3-thia-8-azabicyclo[3.2.1]octane-8-carboxylate | MFCD32820480 | 8-Boc-3-thia-8-azabicyclo[3.2.1]octane | D97012 | t-Butyl 3-thia-8-azabicyclo[3.2.1]octane-8-carboxylate | Tert-butyl3-thia-8-azabicyclo[3.2.1]octane-8-carboxylate |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1520084-33-6 | tert-butyl 3-thia-8-azabicyclo[3.2.1]octane-8-carboxylate | MFCD32820480 | 8-Boc-3-thia-8-azabicyclo[3.2.1]octane | D97012 | t-Butyl 3-thia-8-azabicyclo[3.2.1]octane-8-carboxylate | Tert-butyl3-thia-8-azabicyclo[3.2.1]octane-8-carboxylate |

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1C2CCC1CSC2
• IUPAC Name: tert-butyl 3-thia-8-azabicyclo[3.2.1]octane-8-carboxylate
• InChIKey: FQCMYIYCDDWSSS-UHFFFAOYSA-N
• INCHI: 1S/C11H19NO2S/c1-11(2,3)14-10(13)12-8-4-5-9(12)7-15-6-8/h8-9H,4-7H2,1-3H3
• Isomeric SMILES: CC(C)(C)OC(=O)N1C2CCC1CSC2
• PubChem CID: 102218596
• Molecular Weight: 229.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiazinanes
      • Subclass Thiomorpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiazinanes
• Subclass: Thiomorpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiomorpholine carboxylic acids and derivatives
• Alternative Parents: Pyrrolidine carboxylic acids Thiepanes Carbamate esters Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Thiomorpholine-4-carboxylic acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Thiepane - Pyrrolidine - Carbamic acid ester - Thioether - Azacycle - Dialkylthioether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organonitrogen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as thiomorpholine carboxylic acids and derivatives. These are heterocyclic compounds containing a thiomorpholine ring substituted by one or more carboxylic acid groups (or derivative thereof). Thiomorpholine a six-membered aliphatic ring containing one nitrogen atom and one sulfur atom at positions 1 and 4 respectively, and four 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.

DOI: 10.1186/s13321-016-0174-y