1,4-Thioxane - ≥97% , CAS No.15980-15-1

CAS: 15980-15-1 Cat. No.: T161635 Fórmula: C₄H₈OS Peso molecular: 104.17 Beilstein Registry Number: 19,3 Número CE: 240-117-6 PubChem CID: 27596

GRAU & PUREZA ≥97%

Synonyms

Oxathiane | p-Thioxane | 1,4-Oxathiin, 2,3,5,6-tetrahydro- | 1-Oxa-4-thiacyclohexane | 1,4-Oxathiane | 1-Thia-4-oxacyclohexane | NSC 49179

Storage

Room temperature

Shipped In

Normal

Visão geral

1,4-Thioxane (1,4-oxathiane) was used to study the growth and characterization of the vertically aligned zinc oxide (ZnO) nanowires

Especificações

Sinónimos

Oxathiane | p-Thioxane | 1,4-Oxathiin, 2,3,5,6-tetrahydro- | 1-Oxa-4-thiacyclohexane | 1,4-Oxathiane | 1-Thia-4-oxacyclohexane | NSC 49179

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504753363

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753363

Sorrisos canónicos

C1CSCCO1

IUPAC Name

1,4-oxathiane

InChIKey

JBYHSSAVUBIJMK-UHFFFAOYSA-N

INCHI

1S/C4H8OS/c1-3-6-4-2-5-1/h1-4H2

SMILES isoméricas

C1CSCCO1

WGK Alemanha

2

RTECS

RP4200000

PubChem CID

27596

Número UN

1993

Grupo de embalagem

III

Peso molecular

104.17

Beilstein

19,3

Reaxy-Rn

102552

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxathianes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxathianes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxathianes
• Alternative Parents: Oxacyclic compounds Dialkylthioethers Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,4-oxathiane - Oxacycle - Dialkylthioether - Thioether - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as oxathianes. These are compounds containing an oxathiane moiety, which consists of a saturated aliphatic six-member ring with one oxygen atom, a sulfur atom, and four carbon atoms. Isomers of oxaphospholane include 1,2-oxathiane, 1,3-oxathiane,and 1,4-oxathiane.
• 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

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water
• Índice de refração: 1.51
• Ponto de inflamação (°F): 107.6 °F
• Ponto de inflamação (°C): 42°C(lit.)
• Ponto de ebulição (°C): 67°C/44mmHg(lit.)
• Peso molecular: 104.170 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 104.03 Da
• Monoisotopic Mass: 104.03 Da
• Topological Polar Surface Area: 34.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 34.500
• 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