Thiol-Modifier C6 S-S - ≥95% , CAS No.148254-21-1

CAS: 148254-21-1 Cat. No.: T978917 分子式: C₄₂H₆₁N₂O₅PS₂ 分子量: 769.05

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

仕様と純度

≥95%

保管条件

Room temperature

純度

≥95%

名前と識別子

• カノニカル・スマイル: CC(C)N(C(C)C)P(OCCCCCCSSCCCCCCOC(C1=CC=CC=C1)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)OCCC#N
• IUPAC Name: 3-[6-[6-[bis(4-methoxyphenyl)-phenylmethoxy]hexyldisulfanyl]hexoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
• InChIKey: VEONRKLBSGQZRU-UHFFFAOYSA-N
• INCHI: 1S/C42H61N2O5PS2/c1-35(2)44(36(3)4)50(49-32-18-29-43)48-31-15-8-10-17-34-52-51-33-16-9-7-14-30-47-42(37-19-12-11-13-20-37,38-21-25-40(45-5)26-22-38)39-23-27-41(46-6)28-24-39/h11-13,19-28,35-36H,7-10,14-18,30-34H2,1-6H3
• 異性体SMILES: CC(C)N(C(C)C)P(OCCCCCCSSCCCCCCOC(C1=CC=CC=C1)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)OCCC#N
• 分子量: 769.05

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Benzylethers Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Dialkyldisulfides Sulfenyl compounds Nitriles Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - Benzylether - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Dialkyldisulfide - Organic disulfide - Dialkyl ether - Ether - Carbonitrile - Nitrile - Sulfenyl compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 769.100 g/mol
• XLogP3: 9.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 28
• Exact Mass: 768.376 Da
• Monoisotopic Mass: 768.376 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 52
• Formal Charge: 0
• Complexity: 901.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 148254-21-1, the molecular formula is C42H61N2O5PS2, and the molecular weight is 769.05 g/mol. InChIKey VEONRKLBSGQZRU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.