Vamidothion - analytical standard , CAS No.2275-23-2

CAS: 2275-23-2 Cat. No.: V114891 분자식: C₈H₁₈NO₄PS₂ 분자량: 287.34 EC 번호: 218-894-8 PubChem CID: 560193

GRADE & PURITY Analytical standard

Synonyms

CCRIS 1305 | O,O-Dimethyl S-2-(1-N-methylcarbamoylethylmercapto)ethyl thiophosphate | dimethyl [(2-{[1-(methylcarbamoyl)ethyl]sulfanyl}ethyl)sulfanyl]phosphonate | H1G712H762 | 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt, >=99% (TLC)

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

CCRIS 1305 | O,O-Dimethyl S-2-(1-N-methylcarbamoylethylmercapto)ethyl thiophosphate | dimethyl [(2-{[1-(methylcarbamoyl)ethyl]sulfanyl}ethyl)sulfanyl]phosphonate | H1G712H762 | 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt, >=99% (TLC)

사양 및 순도

analytical standard

보관 조건

Store at 2-8°C

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

등급

분석 표준물질

이름과 식별자

정식 스마일

CC(C(=O)NC)SCCSP(=O)(OC)OC

IUPAC Name

2-(2-dimethoxyphosphorylsulfanylethylsulfanyl)-N-methylpropanamide

InChIKey

LESVOLZBIFDZGS-UHFFFAOYSA-N

INCHI

1S/C8H18NO4PS2/c1-7(8(10)9-2)15-5-6-16-14(11,12-3)13-4/h7H,5-6H2,1-4H3,(H,9,10)

이성체 SMILES

CC(C(=O)NC)SCCSP(=O)(OC)OC

WGK 독일

2

PubChem CID

560193

UN 번호

1648

분자량

287.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Secondary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Secondary carboxylic acid amides
• Alternative Parents: Sulfenyl compounds Organothiophosphorus compounds Dialkylthioethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary carboxylic acid amide - Dialkylthioether - Sulfenyl compound - Thioether - Organothiophosphorus compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).
• External Descriptors: Organophosphorus insecticides

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

• 발화점(°F): 2 °C
• 발화점(°C): 2°C
• 분자량: 287.300 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 287.041 Da
• Monoisotopic Mass: 287.041 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 256.000
• 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