Zytron

HCID 9299CAS 299-85-4

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Basic information

Standard SMILES: COP(=S)(NC(C)C)Oc1ccc(Cl)cc1Cl
InChIKey: PJFGPJQBWSEWKX-UHFFFAOYSA-N
Molecular formula: C10H14Cl2NO2PS
Average molar mass: 314.17 g/mol
Monoisotopic mass: 312.98599168

Overview

Zytron (DMPA) is under investigation for the treatment and health services research of HIV, Lactation, Contraception, Postpartum Depression, and Immune Cells (Mucosal and Systemic). DMPA has been investigated for the prevention, treatment, and basic science of Weight and Microbiota.

Names & identifiers

Preferred name: Zytron
IUPAC: N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine
English name: N-[(2,4-dichlorophenoxy)-methoxy-phosphinothioyl]propan-2-amine
Molecular formula: C10H14Cl2NO2PS
Molecular weight: 314.17

Names & synonyms

Zytron299-85-4Dowco 118DMPA (herbicide)Zytron HerbicideDow 1329O-(2,4-Dichlorophenyl) O-methyl isopropylphosphoramidothioateOMS 115ENT 25647Phosphoramidothioic acid, (1-methylethyl)-, O-(2,4-dichlorophenyl) O-methyl esterIK51552IFHK 22023

Show more names

OMS115Dow-1329Ai3-25647Brn 2143189Caswell no. 323

OMS-115ENT-25647DTXSID1058052O-(2,4-dichlorophenyl)-O-methyl-isopropylphosphoramidothioateK-22023[(2,4-dichlorophenoxy)(methoxy)sulfanylidene-lambda5-phosphanyl](propan-2-yl)amine((2,4-dichlorophenoxy)(methoxy)sulfanylidene-lambda5-phosphanyl)(propan-2-yl)amineRefChem:196308

Database identifiers

CAS: 299-85-4
PubChem CID: 9299
DTXSID: DTXSID1058052
UNII: IK51552IFH
Nikkaji: J5.471B、J57.963G、J57.964E

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 62.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 293

Experimental & physicochemical properties

PesticidesPesticides -> Herbicides, Chlorophenoxy

LogP4.3

Vapor Pressure0.0000614 [mmHg]

Physical DescriptionSolid; [Merck Index]

Physicochemical properties

Melting point: 51.4 ° · 51.4°
Boiling point: 355.5 · 355.5±52.0 °C(Predicted)
Density: 1.34 · 1.340±0.06 g/cm3(Predicted)
pka: -1.12 · -1.12±0.70(Predicted)
Water Solubility: 5 mg/L · 5mg/L(25 ºC)
FDA UNII: 51552 IFH · IK51552IFH
EPA Substance Registry System: O-(2,4-Dichlorophenyl) O-methyl isopropylphosphoramidothioate (299-85-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
Toxicity: 50 orally · LD50 orally in rats: 270-360 mg/kg (Schafer)