Acephate solution - analytical standard, 10ug/ml in Acetone , CAS No.30560-19-1

CAS: 30560-19-1 Cat. No.: A109746 Molecular Weight: 183.17 Beilstein Registry Number: 1936365 EC Number: 250-241-2

GRADE & PURITY Analytical standard, 10ug/ml in Acetone

Synonyms

Acetamidophos | NCGC00254778-01 | KBio1_001560 | o,S-Dimethyl acetylamidothiophosphate | UNII-3Y417O444D | AKOS006227880 | Chevron RE 12,420 | MFCD00055361 | O,S-Dimethyl acetylphosphoramidothioate | O,S-dimethyl acetylphosphoroamidothioate | Phosphoramid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Acetamidophos | NCGC00254778-01 | KBio1_001560 | o, S-Dimethyl acetylamidothiophosphate | UNII-3Y417O444D | AKOS006227880 | Chevron RE 12, 420 | MFCD00055361 | O, S-Dimethyl acetylphosphoramidothioate | O, S-dimethyl acetylphosphoroamidothioate | Phosphoramid

Specifications & Purity

analytical standard, 10ug/ml in Acetone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: CC(=O)NP(=O)(OC)SC
• IUPAC Name: N-[methoxy(methylsulfanyl)phosphoryl]acetamide
• InChIKey: YASYVMFAVPKPKE-UHFFFAOYSA-N
• INCHI: 1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)
• Isomeric SMILES: CC(=O)NP(=O)(OC)SC
• WGK Germany: 2
• UN Number: 3018
• Packing Group: I
• Molecular Weight: 183.17
• Beilstein: 1936365
• Reaxy-Rn: 1936365
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1936365&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Class Organothiophosphorus compounds

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Class: Organothiophosphorus compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organothiophosphorus compounds
• Alternative Parents: Sulfenyl compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfenyl compound - Organothiophosphorus compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: 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: Phosphoramido 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)

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Flash Point(°F): 2 °C
• Flash Point(°C): 2°C
• Molecular Weight: 183.170 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 183.012 Da
• Monoisotopic Mass: 183.012 Da
• Topological Polar Surface Area: 80.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 172.000
• 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

References

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