N-(Phenylthio)phthalimide - ≥98%(HPLC) , CAS No.14204-27-4

CAS: 14204-27-4 Cat. No.: N159147 Formula: C₁₄H₉NO₂S Peso molecolare: 255.29 Beilstein Registry Number: 21(5)11,118

GRADE & PURITY ≥98%(HPLC)

Synonyms

J-007584 | A12040 | MFCD00192396 | 2-Phenylsulfanyl-isoindole-1,3-dione | 2-phenylsulfanylisoindole-1,3-dione | Oprea1_393002 | SB64068 | 1H-Isoindole-1,3(2H)-dione, 2-(phenylthio)- | NMHKBABHRKQHOL-UHFFFAOYSA-N | N-(Phenylthio)phthalimide, 98% | AS-65777

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

J-007584 | A12040 | MFCD00192396 | 2-Phenylsulfanyl-isoindole-1,3-dione | 2-phenylsulfanylisoindole-1,3-dione | Oprea1_393002 | SB64068 | 1H-Isoindole-1,3(2H)-dione, 2-(phenylthio)- | NMHKBABHRKQHOL-UHFFFAOYSA-N | N-(Phenylthio)phthalimide, 98% | AS-65777

Specifiche e purezza

≥98%(HPLC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(HPLC)

Nomi e identificatori

• Pubchem Sid: 504763233
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763233
• Sorrisi canonici: C1=CC=C(C=C1)SN2C(=O)C3=CC=CC=C3C2=O
• IUPAC Name: 2-phenylsulfanylisoindole-1,3-dione
• InChIKey: NMHKBABHRKQHOL-UHFFFAOYSA-N
• INCHI: 1S/C14H9NO2S/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h1-9H
• Isomeri SMILES: C1=CC=C(C=C1)SN2C(=O)C3=CC=CC=C3C2=O
• Peso molecolare: 255.29
• Beilstein: 21(5)11,118
• Reaxy-Rn: 208408
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=208408&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles Benzene and substituted derivatives Sulfenyl compounds Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Benzenoid - Monocyclic benzene moiety - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• 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

• Punto di fusione (°C): 161-166℃
• Peso molecolare: 255.290 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 255.035 Da
• Monoisotopic Mass: 255.035 Da
• Topological Polar Surface Area: 62.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 328.000
• 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

Riferimenti

1. Hou Jiaming, Ruan Rulin, Zhang Ting, Yang Yongqing, Xue Han, Song Mingxin, Han Caixia.  (2026)  Lethal effect of trehalose-6-Phosphate phosphatase inhibitor N-(phenylthio) phthalimide on Trichinella spiralis.  PARASITOLOGY RESEARCH,      [PMID:] [10.1007/s00436-026-08737-8]

Domande frequenti

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 14204-27-4, the molecular formula is C14H9NO2S, and the molecular weight is 255.29 g/mol. InChIKey NMHKBABHRKQHOL-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.