4-ethynylthiane - ≥97% , CAS No.1100509-34-9

CAS: 1100509-34-9 Cat. No.: E626865 Fórmula: C₇H₁₀S Peso molecular: 126.22 PubChem CID: 72208251

CALIDAD & PUREZA ≥97%

Synonyms

4-ethynyltetrahydro-2H-thiopyran | 1100509-34-9 | 4-ETHYNYLTHIANE | 4-Eethynylthiane | SCHEMBL4012881 | MFCD23106385 | AKOS025403274 | PB39036 | SB10771 | AS-51878 | EN300-787670 | P13801

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

4-ethynyltetrahydro-2H-thiopyran | 1100509-34-9 | 4-ETHYNYLTHIANE | 4-Eethynylthiane | SCHEMBL4012881 | MFCD23106385 | AKOS025403274 | PB39036 | SB10771 | AS-51878 | EN300-787670 | P13801

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas

C#CC1CCSCC1

IUPAC Name

4-ethynylthiane

InChIKey

ZMSXBCFUTCAECH-UHFFFAOYSA-N

INCHI

1S/C7H10S/c1-2-7-3-5-8-6-4-7/h1,7H,3-6H2

Isómeros SMILES

C#CC1CCSCC1

PubChem CID

72208251

Peso molecular

126.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thianes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thianes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thianes
• Alternative Parents: Dialkylthioethers Acetylides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Thiane - Acetylide - Dialkylthioether - Thioether - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thianes. These are heterocyclic compounds containing a saturated six-member ring with five carbon atoms and one sulfur atom.
• 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

Propiedades químicas y físicas

• Peso molecular: 126.220 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 126.05 Da
• Monoisotopic Mass: 126.05 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 103.000
• 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