AI 3-23445
Basic information
- CAS
5823-25-6- Standard SMILES
CCOC(=O)COP(=S)(OCC)OCC- InChIKey
FCZCIXQGZOUIDN-UHFFFAOYSA-N- Molecular formula
- C8H17O5PS
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.05343181
Names & identifiers
- Preferred name
- AI 3-23445
- IUPAC
- ethyl 2-diethoxyphosphinothioyloxyacetate
- English name
- [(Diethoxyphosphinothioyl)oxy]acetic acid ethyl ester
- Molecular formula
- C8H17O5PS
- Molecular weight
- 256.26
Names & synonyms
5823-25-6Preparation 11Bayer 18613AI 3-23445ENT 23,445BRN 1877779Acetic acid, ((diethoxyphosphinothioyl)oxy)-, ethyl ester (9CI)AI3-23445Glycolic acid, ethyl ester, O,O-diethyl phosphorothioateDTXSID60206965Phosphorothioic acid, O,O-diethyl ester, O-ester with ethylglycolateAcetic acid, ((diethoxyphosphinothioyl)oxy)-, ethyl ester
Show more names
ENT-23445AI-3-23445Acetic acid, 2-[(diethoxyphosphinothioyl)oxy]-, ethyl ester
RefChem:317832DTXCID90129456[(Diethoxyphosphinothioyl)oxy]acetic acid ethyl esterethyl 2-diethoxyphosphinothioyloxyacetateEthyl 2-((diethoxyphosphorothioyl)oxy)acetatestarbld0007191orb1703773diethyl carbethoxymethyl thiophosphate
Database identifiers
- CAS
5823-25-6- PubChem CID
- 201360
- DTXSID
DTXSID60206965- Nikkaji
- J127.648D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Chemistry & industry
Applications
DescriptionAI 3-23445 is a pesticide.
UsesAI 3-23445 is a compound with environmental toxicity and insecticidal activity, capable of inducing avoidance behavior in Peromyscus maniculatus and Mus musculus. AI 3-23445 can be utilized in agricultural research[1].
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Related reactions
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Compound notes
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