Ethoprophos - analytical standard , CAS No.13194-48-4

CAS: 13194-48-4 Cat. No.: E111924 Peso molecular: 242.34 Beilstein Registry Number: 8139788 Número EC: 236-152-1

GRADE & PURITY Analytical standard

Synonyms

KBio2_007592 | NCGC00163774-03 | O-Ethyl S,S-dipropyl dithiophosphate | DivK1c_006648 | HSDB 1715 | ETHOPROP [HSDB] | O-Ethyl-S,S-dipropyl phosphorodiothioate | Mobil V-C 9-104 | BSPBio_002471 | CAS-13194-48-4 | Ethoprophos | ENT 27,318 | O-Ethyl S,S-dipr

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice,FedEx DG Service

Specifications

Sinónimos

KBio2_007592 | NCGC00163774-03 | O-Ethyl S, S-dipropyl dithiophosphate | DivK1c_006648 | HSDB 1715 | ETHOPROP [HSDB] | O-Ethyl-S, S-dipropyl phosphorodiothioate | Mobil V-C 9-104 | BSPBio_002471 | CAS-13194-48-4 | Ethoprophos | ENT 27, 318 | O-Ethyl S, S-dipr

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice, FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: CCCSP(=O)(OCC)SCCC
• IUPAC Name: 1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
• InChIKey: VJYFKVYYMZPMAB-UHFFFAOYSA-N
• INCHI: 1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3
• Isómeros SMILES: CCCSP(=O)(OCC)SCCC
• WGK Alemania: 3
• RTECS: TE4025000
• Número ONU: 3018
• Grupo de embalaje: I
• Peso molecular: 242.34
• Beilstein: 8139788
• Reaxy-Rn: 8139788
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8139788&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Clase Organothiophosphorus compounds

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Clase: Organothiophosphorus compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organothiophosphorus compounds
• Alternative Parents: Sulfenyl compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfenyl compound - Organothiophosphorus compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organothiophosphorus compounds. These are organic derivatives of thiophosphonic acid, thiophosphoric acid, dithiophosphoric acid, or phosphorotrithioic acid, or derivatives thereof. Thiophosphonic acid, dithiophosphoric acid, thiophosphoric acid, and phosphorotrithioic acid are thiophosphorus compounds with the formula OP(O)(=S), OP(S)(=S)O, OP(O)(=S)O, and OP(=S)(S)S, respectively.
• 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

Objetivos asociados (humanos)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive.
• Punto de inflamación (°C): >100°C
• Punto de ebullición (°C): 86-91°C
• Peso molecular: 242.300 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 242.056 Da
• Monoisotopic Mass: 242.056 Da
• Topological Polar Surface Area: 76.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 152.000
• 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

Referencias

1. Xinyue Zhang, Zhi Li, Yang Wang, Shuaihua Zhang, Xiaohuan Zang, Chun Wang, Zhi Wang.  (2023)  Preparation of black phosphorus nanosheets/ zeolitic imidazolate framework nanocomposite for high-performance solid-phase microextraction of organophosphorus pesticides.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:37660557] [10.1016/j.chroma.2023.464339]

2. Meifeng Li, Tingting Yu, Jingli Lai, Xue Han, Jihuan Hu, Zeyuan Deng, Dongming Li, Zuocheng Ye, Shanghong Wang, Chengyu Hu, Xiaowen Xu.  (2021)  Ethoprophos induces cardiac toxicity in zebrafish embryos.  ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY,      [PMID:34847436] [10.1016/j.ecoenv.2021.113029]

3. Hai-bo Wu, Hai-bin Wu, Ming-shan Kuang, Hui-peng Lan, Yu-xin Wen, Ting-ting Liu.  (2020)  Novel Bithiophene Dimers from Echinops latifolius as Potential Antifungal and Nematicidal Agents.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:33059450] [10.1021/acs.jafc.0c00169]

4. Dongxian Li, Yanyan Zhang, Qingqian Guo, Xiaoquan Sun, Hao Zhang, Shun Wang, Zephania Birech, Jiandong Hu.  (2020)  An efficient LSPR method to quantitatively detect dimethoate: Development, characterization and evaluation.  PLoS One,  15  (9): (e0239632).  [PMID:32970749] [10.1371/journal.pone.0239632]

5. Li Dongxian, Wang Shun, Wang Ling, Zhang Hao, Hu Jiandong.  (2019)  A simple colorimetric probe based on anti-aggregation of AuNPs for rapid and sensitive detection of malathion in environmental samples.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  411  (12): (2645-2652).  [PMID:30877346] [10.1007/s00216-019-01703-7]

6. Yin Dai, Wei Xu, Junqiang Hong, Yani Zheng, Huizhu Fan, Jun Zhang, Jianwen Fei, Wanying Zhu, Junli Hong.  (2023)  A molecularly imprinted ratiometric fluorescence sensor based on blue/red carbon quantum dots for the visual determination of thiamethoxam.  BIOSENSORS & BIOELECTRONICS,      [PMID:37542976] [10.1016/j.bios.2023.115559]