EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6KM6G9NMM2
EPA CompTox	DTXSID90172260

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6KM6G9NMM2

EPA CompTox

DTXSID90172260


InChI Key	BJEWLOAZFAGNPE-UHFFFAOYSA-N
Smiles	CCS(=O)(=O)C=C
InChI	InChI=1S/C4H8O2S/c1-3-7(5,6)4-2/h3H,1,4H2,2H3

InChI Key

BJEWLOAZFAGNPE-UHFFFAOYSA-N

Smiles

CCS(=O)(=O)C=C

InChI

InChI=1S/C4H8O2S/c1-3-7(5,6)4-2/h3H,1,4H2,2H3

Property Name	Value
Molecular Formula	C4H8O2S1
Molecular Weight	120.02
AlogP	0.56
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	34.14
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C4H8O2S1

Molecular Weight

120.02

AlogP

0.56

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

34.14

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	1889-59-4
NORMAN SUSDAT
FDA SRS	6KM6G9NMM2
PubChem	74680
ChemSpider	67253.0

Resources

Reference

CAS NUMBER

1889-59-4

NORMAN SUSDAT

FDA SRS

6KM6G9NMM2

PubChem

74680

ChemSpider

67253.0

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ETHYL VINYL SULFONE

Structure

Physicochemical Descriptors

Cross References