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

CAS: 14204-27-4 Cat. No.: N159147 분자식: C₁₄H₉NO₂S 분자량: 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

동의어

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

사양 및 순도

≥98%(HPLC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(HPLC)

이름과 식별자

Pubchem Sid

504763233

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763233

정식 스마일

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

이성체 SMILES

C1=CC=C(C=C1)SN2C(=O)C3=CC=CC=C3C2=O

분자량

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
    • 분류 Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 녹는점(°C): 161-166℃
• 분자량: 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

자주 묻는 질문

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.