SynCED: Sulfotep

Record Information

Version

1.0

Creation Date

2016-05-19 01:44:08 UTC

Update Date

2026-08-24 18:19:14 UTC

Accession Number

CHEM004411

Identification

Common Name

Sulfotep

Class

Small Molecule

Description

Contaminant Sources

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

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Bis(O,O-diethylphosphorothionic) anhydride	ChEBI
Dithion	ChEBI
Dithiophos	ChEBI
O,O,O,O-Tetraethyl dithiopyrophosphate	ChEBI
Sulfotepp	ChEBI
TEDP	ChEBI
TEDTP	ChEBI
Tetraethyl dithiopyrophosphate	ChEBI
Thiodiphosphoric acid, tetraethyl ester	ChEBI
O,O,O,O-Tetraethyl dithiopyrophosphoric acid	Generator
Sulphotepp	Generator
Tetraethyl dithiopyrophosphoric acid	Generator
Thiodiphosphate, tetraethyl ester	Generator
Sulphotep	Generator
Diethoxyphosphinothioyloxy-diethoxy-sulphanylidene-$l^{5}-phosphane	Generator
TETPP	MeSH
Asymmetric tetraethyl dithiopyrophosphate	MeSH
Sulfotep	MeSH
Ethyl thiopyrophosphate	MeSH

Chemical Formula

C₈H₂₀O₅P₂S₂

Average Molecular Mass

322.310 g/mol

Monoisotopic Mass

322.023 g/mol

CAS Registry Number

3689-24-5

IUPAC Name

O,O-diethyl {[diethoxy(sulfanylidene)-λ⁵-phosphanyl]oxy}phosphonothioate

Traditional Name

dithione

SMILES

CCOP(=S)(OCC)OP(=S)(OCC)OCC

InChI Identifier

InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3

InChI Key

XIUROWKZWPIAIB-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as thiophosphoric acid esters. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where at least one R-group is an organyl group.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic thiophosphoric acids and derivatives

Sub Class

Thiophosphoric acid esters

Direct Parent

Thiophosphoric acid esters

Alternative Parents

Substituents

Thiophosphoric acid ester
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

organic thiophosphate (CHEBI:38945 )
organothiophosphate insecticide (CHEBI:38945 )

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	0.029 g/L	ALOGPS
logP	4.43	ALOGPS
logP	3.28	ChemAxon
logS	-4	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	46.15 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	78.43 m³·mol⁻¹	ChemAxon
Polarizability	30.34 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

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

DB11497

HMDB ID

HMDB0258605

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

Sulfotep

Chemspider ID

18280

ChEBI ID

38945

PubChem Compound ID

Not Available

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Sulfotep (CHEM004411)

Structure for CHEM004411: Sulfotep