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

CAS: 27144-18-9 Cat. No.: T101158 Molecular Weight: 348.46 EC Number: 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

Argon charged,Room temperature

Shipped In

Normal

Specifications

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

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488189138
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189138
• Canonical Smiles: 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)
• Isomeric SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCC(=O)O
• WGK Germany: 3
• PubChem CID: 262767
• Molecular Weight: 348.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Associated Targets(Human)

HeLa (62764 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive；Hygroscopic
• Molecular Weight: 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

References

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]