3-(Tritylthio)propionic acid - ≥97% , CAS No.27144-18-9

CAS: 27144-18-9 Cat. No.: T101158 Formule: C₂₂H₂₀O₂S Poids moléculaire: 348.46 Numéro CE: 626-436-7 PubChem CID: 262767

GRADE & PURITY ≥97%

Synonyms

3-(Tritylthio)propionic acid | NSC96707 | Triphenylmethyl-containing compound, 35 | SCHEMBL34785 | S-TRITYL-3-MERCAPTOpropanoic acid | ZB0558 | 3-(tritylthio)propanoic acid | 3-[(triphenylmethyl)sulfanyl]propanoic acid | AS-19320 | C22H20O2S | 3-Tritylsul

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

3-(Tritylthio)propionic acid | NSC96707 | Triphenylmethyl-containing compound, 35 | SCHEMBL34785 | S-TRITYL-3-MERCAPTOpropanoic acid | ZB0558 | 3-(tritylthio)propanoic acid | 3-[(triphenylmethyl)sulfanyl]propanoic acid | AS-19320 | C22H20O2S | 3-Tritylsul

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 488189138
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189138
• Sourires canoniques: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCC(=O)O
• IUPAC Name: 3-tritylsulfanylpropanoic acid
• InChIKey: AECGEIVNZGQBJT-UHFFFAOYSA-N
• INCHI: 1S/C22H20O2S/c23-21(24)16-17-25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,23,24)
• Isomères SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCC(=O)O
• WGK Allemagne: 3
• PubChem CID: 262767
• Poids moléculaire: 348.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Benzene and substituted derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - Monocyclic benzene moiety - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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

Cibles associées (humaines)

HeLa (62764 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Air sensitive；Hygroscopic
• Poids moléculaire: 348.500 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 348.118 Da
• Monoisotopic Mass: 348.118 Da
• Topological Polar Surface Area: 62.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 359.000
• 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

Références

1. Wei He, Yawei Du, Wenya Zhou, Chen Yao, Xinsong Li.  (2019)  Redox-sensitive dimeric camptothecin phosphatidylcholines-based liposomes for improved anticancer efficacy.  Nanomedicine,      [PMID:31696756] [10.2217/nnm-2019-0261]