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

CAS: 1613-51-0 Cat. No.: P160345 Formule: C₅H₁₀S Poids moléculaire: 102.2 Beilstein Registry Number: 17,12 Numéro CE: 216-561-1 PubChem CID: 15367

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Sourires canoniques

C1CCSCC1

IUPAC Name

thiane

InChIKey

YPWFISCTZQNZAU-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

C1CCSCC1

PubChem CID

15367

Poids moléculaire

102.2

Beilstein

17,12

Reaxy-Rn

102437

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thianes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Insoluble in water
• Sensibilité: Air Sensitive
• Indice de réfraction: 1.51
• Point d'éclair (°F): 21°C(lit.)
• Point d'éclair (°C): 21°C(lit.)
• Point d'ébullition (°C): 140°C
• Point de fusion (°C): 13 °C
• Poids moléculaire: 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