PPC-NHSester - ≥98% , CAS No.107348-47-0

CAS: 107348-47-0 Cat. No.: P695692 분자식: C₁₃H₁₄N₂O₄S₂ 분자량: 326.39 PubChem CID: 129538

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

사양 및 순도

≥98%

보관 조건

Room temperature

순수함

≥98%

이름과 식별자

• 정식 스마일: CC(CC(=O)ON1C(=O)CCC1=O)SSC2=CC=CC=N2
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)butanoate
• InChIKey: VQZYZXLBKBUOHE-UHFFFAOYSA-N
• INCHI: 1S/C13H14N2O4S2/c1-9(20-21-10-4-2-3-7-14-10)8-13(18)19-15-11(16)5-6-12(15)17/h2-4,7,9H,5-6,8H2,1H3
• 이성체 SMILES: CC(CC(=O)ON1C(=O)CCC1=O)SSC2=CC=CC=N2
• PubChem CID: 129538
• 분자량: 326.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Pyrrolidine-2-ones Heteroaromatic compounds Dicarboximides Organic disulfides Lactams Carboxylic acid salts Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Pyrrolidone - Pyridine - Heteroaromatic compound - Pyrrolidine - Dicarboximide - Organic disulfide - Lactam - Carboxylic acid salt - Azacycle - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

• 분자량: 326.400 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 326.039 Da
• Monoisotopic Mass: 326.039 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 403.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 107348-47-0, the molecular formula is C13H14N2O4S2, and the molecular weight is 326.39 g/mol. InChIKey VQZYZXLBKBUOHE-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.