EcoDrugPlus


Synonyms	Diethion Ethion
Status
Molecule Category	UNKNOWN
UNII	2TI07NO12Y
EPA CompTox	DTXSID2024086

Synonyms

Diethion

Ethion

Status

Molecule Category

UNKNOWN

UNII

2TI07NO12Y

EPA CompTox

DTXSID2024086


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	RIZMRRKBZQXFOY-UHFFFAOYSA-N
Smiles	CCOP(=S)(OCC)SCSP(=S)(OCC)OCC
InChI	InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3

InChI Key

RIZMRRKBZQXFOY-UHFFFAOYSA-N

Smiles

CCOP(=S)(OCC)SCSP(=S)(OCC)OCC

InChI

InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3

Property Name	Value
Molecular Formula	C9H22O4P2S4
Molecular Weight	384.49
AlogP	5.01
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	12.0
Polar Surface Area	36.92
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C9H22O4P2S4

Molecular Weight

384.49

AlogP

5.01

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

12.0

Polar Surface Area

36.92

Molecular species

None

Aromatic Rings

0.0

Heavy Atoms

19.0

Resources	Reference
ChEBI	38663
ChEMBL	CHEMBL1713417
FDA SRS	2TI07NO12Y
KEGG	C18725
PubChem	3286
SureChEMBL	SCHEMBL26750
ZINC	ZINC000002034740

Resources

Reference

ChEBI

ChEMBL

FDA SRS

KEGG

PubChem

SureChEMBL

ZINC


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

ETHION

Structure

Physicochemical Descriptors

Cross References