Dimethoate - analytical standard , CAS No.60-51-5

CAS: 60-51-5 Cat. No.: D109819 분자식: C₅H₁₂NO₃PS₂ 분자량: 229.25 Beilstein Registry Number: 1785339 EC 번호: 200-480-3

등급 & 순도 Analytical standard

Synonyms

Dimeton|Fostion MM|Lurgo|Racusan|8014 Bis HC|Fosfamid (USSR)|BI-58|Fosfamid|Sevigor|Tara|O,O-Dimethyl methylcarbamoylmethyl phosphorodithioate|Roxion|dimethoate|Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-mercapto-N-methylacetamide|Rebelate|Systoate|Trimetion|O,O-dimethyl S-(2-(methylamino)-2-oxoethyl) dithiophosphate|Aadimethoal|N-Monomethylamide of O,O-dimethyldithiophosphorylacetic acid|Phosphorodithioic acid O,O-dimethyl ester, ester with 2-mercapto-N-methylacetamide|Rogor 40|Sistemin|Dimethoaat|Dimethoate [ANSI:BSI:ISO]|O,O-Dimethyl S-((methylcarbamoyl)methyl)phosphorodithioate|RCRA waste number P044|BI 58|Roxion UA|Cygon 4E|Experimental Insecticide 12,880|Salut|CL 12880|Fosfatox R|Phosphamide|Turbair|Phosphorodithioic acid, O,O-dimethyl S-(2-(methylamino)-2-oxoethyl)ester|American cyanamid 12880|Ditimur 40; ENT 24650; Experimental Insecticide 12880; FIP; Fosfatox R; Fosfotox|O,O-dimethyl S-[2-(methylamino)-2-oxoethyl]phosphorodithioate|Rogor L|Dimethogen|O,O-Dimethyl S-(N-methylcarbamoylmethyl) phosphorodithioate|O,O-Dimethyl S-methylcarbamoylmethyl phosphorodithioate|2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide|Cygon 400|Dimevur|Fosfotox R 35|Solut|De-fend|Ferkethion|Fosfotox|Phosphamid|Rogor|O,O-Dimethyl S-(2-(methylamino)-2-oxoethyl)phosphorodithioate|O,O-Dimethyl S-(N-methylcarbamylmethyl) thiothionophosphate|O,O-Dimethyldithiophosphorylacetic acid, N-monomethylamide salt|S-Methylcarbamoylmethyl O,O-Dimethyl phosphorodithioate|Phosphorodithioic acid, O,O-dimethyl S-[2-(methylamino)-2-oxoethyl]ester|Tara 909|Cekuthoate|Cygon insecticide|O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] phosphorodithioate|DIMETHOATE (MART.)|O,O-Dimethyl S-(2-(methylamino)-2-oxoethyl) phosphorodithioate|EI-12880|Fortion NM|Cygon|FIP|2-Dimethoxyphosphinothioylthio-N-methylacetamide|Daphene|Demos-L40|O,O-Dimethyl S-(N-methylcarbamoylmethyl) dithiophosphate|o,o-Dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate|Dimethoaat [Dutch]|Experimental Insecticide 12880|Dimetate|Dimethoat [German]|Dimethoate 30 EC|Fosfotox R|O,O-Dimethyl-S-(2-oxo-3-aza-butyl)-dithiophosphat [German]|Phosphorodithioic acid, O,O-dimethyl S-(2-(methylamino)-2-oxoethyl) ester|Dimethoat|Phosphorodithioic acid, O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] ester|Cygon 2-E|DIMETHOATE [MART.]|PERFEKTHION S|Devigon|Perfecthion|Sinoratox

Storage

Store at 2-8°C

Shipped In

Wet ice

사양

동의어

Dimeton | Fostion MM | Lurgo | Racusan | 8014 Bis HC | Fosfamid (USSR) | BI-58 | Fosfamid | Sevigor | Tara | O,O-Dimethyl methylcarbamoylmethyl phosphorodithioate | Roxion | dimethoate | Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-mercapto-N-methylacetamide | Rebelate | Systoate | Trimetion | O,O-dimethyl S-(2-(methylamino) Show more

사양 및 순도

analytical standard

생화학 및 생리적 메커니즘

类似于毒扁豆碱的乙酰胆碱酯酶的可逆抑制剂，但是不能穿过血脑屏障。

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

Pubchem Sid

508811752

정식 스마일

CNC(=O)CSP(=S)(OC)OC

IUPAC Name

2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide

InChIKey

MCWXGJITAZMZEV-UHFFFAOYSA-N

INCHI

1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)

이성체 SMILES

CNC(=O)CSP(=S)(OC)OC

WGK 독일

3

UN 번호

2783(solid)3018(liquid)

포장 그룹

I

분자량

229.25

Beilstein

1785339

Reaxy-Rn

1785339

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1785339&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Organic dithiophosphoric acids and derivatives
      • Subclass Dithiophosphate O-esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Organic dithiophosphoric acids and derivatives
• Subclass: Dithiophosphate O-esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Dithiophosphate O-esters
• Alternative Parents: Dithiophosphate S-esters Secondary carboxylic acid amides Sulfenyl compounds Organothiophosphorus compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dithiophosphate s-ester - Dithiophosphate o-ester - Carboxamide group - Secondary carboxylic acid amide - Sulfenyl compound - Organothiophosphorus compound - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as dithiophosphate o-esters. These are o-ester derivatives of dithiophosphates, with the general structure RSP(O)(O)=S (R = organyl group).
• 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

관련 대상(인간)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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VDR Tclin Vitamin D receptor (26531 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

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PABPC1 Tbio Polyadenylate-binding protein 1 (2615 Activities)

Discover Target: PABPC1

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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관련 대상(비인간)

Aphis gossypii (526 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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Bactrocera oleae (43 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive.
• 발화점(°C): 2°C
• 끓는점(°C): 107°C
• 녹는점(°C): 52-52.5°C
• 분자량: 229.300 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 229 Da
• Monoisotopic Mass: 229 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 191.000
• 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