1λ⁶,4-thiazepane-1,1-dione - ≥97% , CAS No.756815-81-3

CAS: 756815-81-3 Cat. No.: T634493 Molecular Weight: 149.21 PubChem CID: 73977772

GRADE & PURITY ≥97%

Synonyms

756815-81-3 | 1,4-THIAZEPANE-1,1-DIOXIDE TRIFLUORO ACETATE | 1,4-Thiazepane-1,1-dioxidetrifluoroacetate | 1,4-thiazepane 1,1-dioxide | 2,2,2-trifluoroacetic acid | 1,4-THIAZEPANE-1,1-DIOXIDE TRIFLUOROACETATE

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

756815-81-3 | 1, 4-THIAZEPANE-1, 1-DIOXIDE TRIFLUORO ACETATE | 1, 4-Thiazepane-1, 1-dioxidetrifluoroacetate | 1, 4-thiazepane 1, 1-dioxide | 2, 2, 2-trifluoroacetic acid | 1, 4-THIAZEPANE-1, 1-DIOXIDE TRIFLUOROACETATE

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CNCCS(=O)(=O)C1.C(=O)(C(F)(F)F)O
• IUPAC Name: 1,4-thiazepane 1,1-dioxide;2,2,2-trifluoroacetic acid
• InChIKey: KCMGFQFURXPBDZ-UHFFFAOYSA-N
• INCHI: 1S/C5H11NO2S.C2HF3O2/c7-9(8)4-1-2-6-3-5-9;3-2(4,5)1(6)7/h6H,1-5H2;(H,6,7)
• Isomeric SMILES: C1CNCCS(=O)(=O)C1.C(=O)(C(F)(F)F)O
• PubChem CID: 73977772
• Molecular Weight: 149.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Sulfonyls
      • Subclass Sulfones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Sulfonyls
• Subclass: Sulfones
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfones
• Alternative Parents: Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Not available
• Substituents: Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Sulfone - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Alkyl fluoride - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Amine - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfones. These are compounds containing a sulfonyl group( which as the general structure RS(=O)2R' (R,R' =alkyl, aryl)) attached to two 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