Pentamethylene Sulfide - ≥98%(GC) , CAS No.1613-51-0

CAS: 1613-51-0 Cat. No.: P160345 Summenformel: C₅H₁₀S Molekulargewicht: 102.2 Beilstein Registry Number: 17,12 EG-Nummer: 216-561-1 PubChem CID: 15367

QUALITÄT & REINHEIT ≥98%(GC)

Synonyms

Thiane | EN300-155089 | P9BB3YF628 | Tetrahydrothiopyran | tetrahydro-thiopyran | FT-0633708 | AKOS015903942 | DTXSID60167108 | MFCD00006662 | SCHEMBL4268008 | A810254 | InChI=1/C5H10S/c1-2-4-6-5-3-1/h1-5H | 2H-Thiopyran, tetrahydro- | Tetrahydrothiapyran

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

Thiane | EN300-155089 | P9BB3YF628 | Tetrahydrothiopyran | tetrahydro-thiopyran | FT-0633708 | AKOS015903942 | DTXSID60167108 | MFCD00006662 | SCHEMBL4268008 | A810254 | InChI=1/C5H10S/c1-2-4-6-5-3-1/h1-5H | 2H-Thiopyran, tetrahydro- | Tetrahydrothiapyran

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Kanonisches Lächeln

C1CCSCC1

IUPAC Name

thiane

InChIKey

YPWFISCTZQNZAU-UHFFFAOYSA-N

INCHI

1S/C5H10S/c1-2-4-6-5-3-1/h1-5H2

Isomere SMILES

C1CCSCC1

PubChem CID

15367

Molekulargewicht

102.2

Beilstein

17,12

Reaxy-Rn

102437

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 Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Thiane - 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

• Löslichkeit: Insoluble in water
• Empfindlichkeit: Air Sensitive
• Brechungsindex: 1.51
• Flammpunkt (°F): 21°C(lit.)
• Flammpunkt (°C): 21°C(lit.)
• Siedepunkt (°C): 140°C
• Schmelzpunkt (°C): 13 °C
• Molekulargewicht: 102.200 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 102.05 Da
• Monoisotopic Mass: 102.05 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 30.900
• 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