Solfuro di eptile - ≥97%(GC) , CAS No.629-65-2

CAS: 629-65-2 Cat. No.: H157106 Formula: C₁₄H₃₀S Peso molecolare: 230.45 Numero EC: 211-101-6

QUALITÀ & PUREZZA ≥97%(GC)

Synonyms

Heptane, 1,1'-thiobis- | G6CCC2QR5A | LEMIDOZYVQXGLI-UHFFFAOYSA-N | di-n-Heptyl sulfide | AKOS015897604 | D90850 | Heptyl sulfide | SCHEMBL460167 | FT-0624937 | Diheptyl sulfide | Acrylic acid, 2,3-diphenyl- | 1-(Heptylsulfanyl)heptane | diheptylsulfane |

Storage

Argon charged,Room temperature

Shipped In

Normale

Specifiche

Sinonimi

Heptane, 1,1'-thiobis- | G6CCC2QR5A | LEMIDOZYVQXGLI-UHFFFAOYSA-N | di-n-Heptyl sulfide | AKOS015897604 | D90850 | Heptyl sulfide | SCHEMBL460167 | FT-0624937 | Diheptyl sulfide | Acrylic acid, 2,3-diphenyl- | 1-(Heptylsulfanyl)heptane | diheptylsulfane |

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normale

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

504754388

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754388

Sorrisi canonici

CCCCCCCSCCCCCCC

IUPAC Name

1-heptylsulfanylheptane

InChIKey

LEMIDOZYVQXGLI-UHFFFAOYSA-N

INCHI

1S/C14H30S/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-14H2,1-2H3

Isomeri SMILES

CCCCCCCSCCCCCCC

Peso molecolare

230.45

Reaxy-Rn

1742679

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1742679&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Dialkylthioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Dialkylthioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkylthioethers
• Alternative Parents: Sulfenyl compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylthioether - Sulfenyl compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups.
• 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

Proprietà chimiche e fisiche

• Sensibilità: air sensitive
• Indice di rifrazione: 1.46
• Punto di ebollizione (°C): 298°C(lit.)
• Punto di fusione (°C): -11°C(lit.)
• Peso molecolare: 230.460 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 230.207 Da
• Monoisotopic Mass: 230.207 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 89.500
• 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