EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Salt-form
UNII	P70OUL0YIF
EPA CompTox	DTXSID6074388

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Salt-form

UNII

P70OUL0YIF

EPA CompTox

DTXSID6074388


InChI Key	KLSBASGQHCAVHQ-UHFFFAOYSA-L
Smiles	[Na+].[Na+].OC(C([O-])=O)S([O-])=O
InChI	InChI=1/C2H4O5S.2Na/c3-1(4)2(5)8(6)7;;/h2,5H,(H,3,4)(H,6,7);;/q;2*+1/p-2

InChI Key

KLSBASGQHCAVHQ-UHFFFAOYSA-L

Smiles

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

InChI

InChI=1/C2H4O5S.2Na/c3-1(4)2(5)8(6)7;;/h2,5H,(H,3,4)(H,6,7);;/q;2*+1/p-2

Property Name	Value
Molecular Formula	C2H2Na2O5S
Molecular Weight	183.94
AlogP	-9.06
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	100.49
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C2H2Na2O5S

Molecular Weight

183.94

AlogP

-9.06

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

100.49

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	223106-41-0
NORMAN SUSDAT
FDA SRS	P70OUL0YIF

Resources

Reference

CAS NUMBER

223106-41-0

NORMAN SUSDAT

FDA SRS

P70OUL0YIF

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...

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Last update: Monday, 3 November 2025

ACETIC ACID, 2-HYDROXY-2-SULFINO-, SODIUM SALT (1:2)

Structure

Physicochemical Descriptors

Cross References