14-Mercaptotetradecanoic acid - ≥97% , CAS No.184639-68-7

CAS: 184639-68-7 Cat. No.: M587808 Formule: C₁₄H₂₈O₂S Poids moléculaire: 260.44 Numéro CE: 889-563-9

GRADE & PURITY ≥97%

Synonyms

MFCD32644573 | 14-mercaptotetradecanoic acid | C14H28O2S | 14-mercaptotetradecanoicacid | Tetradecanoic acid, 14-mercapto- | SCHEMBL2837455 | 14-SULFANYLTETRADECANOIC ACID | AKOS037648978 | D70092 | AMY37960 | BS-16161 | DTXSID90729672

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

MFCD32644573 | 14-mercaptotetradecanoic acid | C14H28O2S | 14-mercaptotetradecanoicacid | Tetradecanoic acid, 14-mercapto- | SCHEMBL2837455 | 14-SULFANYLTETRADECANOIC ACID | AKOS037648978 | D70092 | AMY37960 | BS-16161 | DTXSID90729672

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: C(CCCCCCC(=O)O)CCCCCCS
• IUPAC Name: 14-sulfanyltetradecanoic acid
• InChIKey: VPORVJHUQAFEIX-UHFFFAOYSA-N
• INCHI: 1S/C14H28O2S/c15-14(16)12-10-8-6-4-2-1-3-5-7-9-11-13-17/h17H,1-13H2,(H,15,16)
• Isomères SMILES: C(CCCCCCC(=O)O)CCCCCCS
• Poids moléculaire: 260.44
• Reaxy-Rn: 31920477
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31920477&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Thia fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Thia fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alkylthiol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• 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

• Poids moléculaire: 260.440 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 260.181 Da
• Monoisotopic Mass: 260.181 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 172.000
• 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