Etrimfos solution - analytical standard, 100ug/ml in acetone , CAS No.38260-54-7

CAS: 38260-54-7 Cat. No.: E114915 Formula: C₁₀H₁₇N₂O₄PS Molecular Weight: 292.29 Beilstein Registry Number: 7136389 EC Number: 253-855-9

GRADE & PURITY Analytical standard, 100ug/ml in acetone

Synonyms

6-ethoxy-2-ethylpyrimidin-4-yl methyl methoxy(sulfanylidene)phosphonite|Dimethyl-O-(2-ethyl-4-ethoxy-pyrimidinyl-6)-thionophosphate|ETRIMFOS|San 197|Ekamet|Etrimfos [ANSI:BSI:ISO]|O-(6-Ethoxy-2-ethyl-4-pyrimidinyl) O,O-dimethyl thiophosphate #|O,O-Dimethyl O-(2-ethyl-6-ethoxy-4-pyrimidyl)phosphorothioate|Satisfar LS 5|O,O-Dimethyl O-(2-ethyl-4-ethoxypyrimidinyl)-6-thionophosphate|Phosphorothioic acid, O,O-dimethyl O-(6-ethoxy-2-ethyl-4-pyrimidinyl) ester|ETRIMFOS [ISO]|Phosphorothioic acid, O-(6-ethoxy-2-ethyl-4-pyrimidinyl) O,O-dimethyl ester|Ekamet G|O-(6-Ethoxy-2-ethyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate, 9CI|Etrimphos|O-6-Ethoxy-2-ethylpyrimidin-4-yl O,O-dimethyl phosphorothioate|Etrimfos; Etrimphos; SAN 197; SAN-I 197; Satisfar|SAN 197 I|Phosphorothioic acid O-(6-ethoxy-2-ethyl-4-pyrimidinyl) O,O-dimethyl ester|(6-ethoxy-2-ethylpyrimidin-4-yl)oxy-dimethoxy-sulfanylidene-lambda5-phosphane|2-Ethyl-6-ethoxypyrimidin-4-yl dimethyl phosphorothionate|O-(6-Ethoxy-2-ethyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate|O-(6-ethoxy-2-ethylpyrimidin-4-yl) O,O-dimethyl phosphorothioate|Satisfar LS 3|SAN-I 197|ETRIMFOS [MI]|O,O-Dimethyl O-(6-ethoxy-2-ethyl-4-pyrimidinyl) phosphorothioate|ETRIMFOS [HSDB]|SAN-197|Ekamet ULV|Satisfar

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

6-ethoxy-2-ethylpyrimidin-4-yl methyl methoxy(sulfanylidene)phosphonite | Dimethyl-O-(2-ethyl-4-ethoxy-pyrimidinyl-6)-thionophosphate | ETRIMFOS | San 197 | Ekamet | Etrimfos [ANSI:BSI:ISO] | O-(6-Ethoxy-2-ethyl-4-pyrimidinyl) O,O-dimethyl thiophosphate # | O,O-Dimethyl O-(2-ethyl-6-ethoxy-4-pyrimidyl)phosphorothioate | Satisfar LS 5 | O, Show more

Specifications & Purity

analytical standard, 100ug/ml in acetone

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

Canonical Smiles

CCC1=NC(=CC(=N1)OP(=S)(OC)OC)OCC

IUPAC Name

(6-ethoxy-2-ethylpyrimidin-4-yl)oxy-dimethoxy-sulfanylidene-λ5-phosphane

InChIKey

FGIWFCGDPUIBEZ-UHFFFAOYSA-N

INCHI

1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3

Isomeric SMILES

CCC1=NC(=CC(=N1)OP(=S)(OC)OC)OCC

WGK Germany

3

RTECS

TF8350000

UN Number

3082

Molecular Weight

292.29

Beilstein

7136389

Reaxy-Rn

7136389

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7136389&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic thiophosphoric acids and derivatives
      • Subclass Thiophosphoric acid esters
        • Level5 Aryl thiophosphates
          • Level6 Pyrimidinyl phosphorothioates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic thiophosphoric acids and derivatives
• Subclass: Thiophosphoric acid esters
• Intermediate Tree Nodes: Aryl thiophosphates
• Direct Parent: Pyrimidinyl phosphorothioates
• Alternative Parents: Thiophosphate triesters Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidinyl phosphorothioate - Thiophosphate triester - Alkyl aryl ether - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidinyl phosphorothioates. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where R= pyrimidine, R' = organyl group , and R\" = any atom.
• 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

Associated Targets(Human)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

Mechanisms of Action

Chemical and Physical Properties

• x_flash_point_drop_fahrenheit: >100 °C
• x_flash_point_drop_centigrade: >100°C
• Molecular Weight: 292.290 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 292.065 Da
• Monoisotopic Mass: 292.065 Da
• Topological Polar Surface Area: 94.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 287.000
• 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

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

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 38260-54-7, the molecular formula is C10H17N2O4PS, and the molecular weight is 292.29 g/mol. InChIKey FGIWFCGDPUIBEZ-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.