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

CAS: 1100509-34-9 Cat. No.: E626865 Summenformel: C₇H₁₀S Molekulargewicht: 126.22 PubChem CID: 72208251

GRADE & PURITY ≥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

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere SMILES: C#CC1CCSCC1
• PubChem CID: 72208251
• Molekulargewicht: 126.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Thianes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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