ContaminantDB: Chlormephos

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (25)XML

Record Information

Version

1.0

Creation Date

2016-05-19 01:48:45 UTC

Update Date

2026-08-22 20:44:03 UTC

Accession Number

CHEM004523

Identification

Common Name

Chlormephos

Class

Small Molecule

Description

Chlormephos is an organic compound with the formula C5H12ClO2PS2 and an average molecular weight of 234.69 g/mol. Chlormephos belongs to the dithiophosphate o-esters, a subclass of organic dithiophosphoric acids and derivatives within the organic compounds. This substance has been identified in or released from 20 recorded sources across several categories. Within electrical and electronic equipment, it is associated with amplifiers, antennas, auxiliary devices, electric switches, and fixed capacitors and their manufacture, among four other sources. In the sector of building and construction, it is found in relation to fencing, floors, roofs, stairs and ramps, and tents or canopies. Its presence is also recorded in food, food processing and cookware, specifically involving cellar tools, the processing of meats, the processing of fish, and the preparation of wine or sparkling wine. Additionally, it has been detected in household cleaning and consumer products such as soap dispensers, as well as in household items including key rings.

Contaminant Sources

Clean Air Act Chemicals
HPV EPA Chemicals
My Exposome Chemicals
STOFF IDENT Compounds
ToxCast & Tox21 Chemicals

Contaminant Type

Human Neurotoxin

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Chlormethylfos	ChEBI
Phosphorodithioic acid, S-(chloromethyl) O,O-diethyl ester	ChEBI
S-(Chloromethyl) O,O-diethyl dithiophosphate	ChEBI
Phosphorodithioate, S-(chloromethyl) O,O-diethyl ester	Generator
S-(Chloromethyl) O,O-diethyl dithiophosphoric acid	Generator
Chloromethylsulphanyl-diethoxy-sulphanylidene-$l^{5}-phosphane	Generator

Chemical Formula

C₅H₁₂ClO₂PS₂

Average Molecular Mass

234.690 g/mol

Monoisotopic Mass

233.970 g/mol

CAS Registry Number

24934-91-6

IUPAC Name

chloromethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

Traditional Name

dotan

SMILES

CCOP(=S)(OCC)SCCl

InChI Identifier

InChI=1S/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3

InChI Key

QGTYWWGEWOBMAK-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as dithiophosphate o-esters. These are o-ester derivatives of dithiophosphates, with the general structure RSP(O)(O)=S (R = organyl group).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic dithiophosphoric acids and derivatives

Sub Class

Dithiophosphate O-esters

Direct Parent

Dithiophosphate O-esters

Alternative Parents

Substituents

Dithiophosphate o-ester
Dithiophosphate s-ester
Sulfenyl compound
Organothiophosphorus compound
Organic oxygen compound
Hydrocarbon derivative
Organosulfur compound
Organooxygen compound
Organochloride
Organohalogen compound
Alkyl halide
Alkyl chloride
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

organochlorine insecticide (CHEBI:38603 )
organic thiophosphate (CHEBI:38603 )
organothiophosphate insecticide (CHEBI:38603 )
Organophosphorus insecticides (C18686 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.14 g/L	ALOGPS
logP	2.98	ALOGPS
logP	2.78	ChemAxon
logS	-3.2	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	18.46 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	56.37 m³·mol⁻¹	ChemAxon
Polarizability	22.1 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9110000000-8296b8c17a26b751c748	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9620000000-c3ef9ad9693c73f9cbd1	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-48459d5283dc74cea4da	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0uea-0940000000-e09d4cf460c16028e1f5	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0f89-6920000000-07f2c3ca5ee1d25fd4ad	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0bu0-2900000000-f01a0329c31a59fd0899	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Chlormephos

Chemspider ID

Not Available

ChEBI ID

38603

PubChem Compound ID

32739

Kegg Compound ID

C18686

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Chlormephos (CHEM004523)

Structure for CHEM004523: Chlormephos