EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Salt-form
UNII	F7K3L38Z7B
EPA CompTox	DTXSID0027513

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Salt-form

UNII

F7K3L38Z7B

EPA CompTox

DTXSID0027513


InChI Key	BWYYYTVSBPRQCN-UHFFFAOYSA-M
Smiles	[Na+].[O-]S(=O)(=O)C=C
InChI	InChI=1S/C2H4O3S.Na/c1-2-6(3,4)5;/h2H,1H2,(H,3,4,5);/q;+1/p-1

InChI Key

BWYYYTVSBPRQCN-UHFFFAOYSA-M

Smiles

[Na+].[O-]S(=O)(=O)C=C

InChI

InChI=1S/C2H4O3S.Na/c1-2-6(3,4)5;/h2H,1H2,(H,3,4,5);/q;+1/p-1

Property Name	Value
Molecular Formula	C2H3NaO3S
Molecular Weight	129.97
AlogP	-3.32
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	57.2
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C2H3NaO3S

Molecular Weight

129.97

AlogP

-3.32

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

57.2

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	3039-83-6
NORMAN SUSDAT
FDA SRS	F7K3L38Z7B
PubChem	3270262
ChemSpider	56253.0

Resources

Reference

CAS NUMBER

3039-83-6

NORMAN SUSDAT

FDA SRS

F7K3L38Z7B

PubChem

3270262

ChemSpider

56253.0

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

SODIUM ETHENESULFONATE

Structure

Physicochemical Descriptors

Cross References