EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Salt-form
UNII	1A0PLS266R
EPA CompTox	DTXSID50904100

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Salt-form

UNII

1A0PLS266R

EPA CompTox

DTXSID50904100


InChI Key	GCNLRNBDDUYJMP-UHFFFAOYSA-M
Smiles	[Na+].Cc1ccc2ccccc2c1S(=O)(=O)[O-]
InChI	InChI=1/C11H10O3S.Na/c1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14;/h2-7H,1H3,(H,12,13,14);/q;+1/p-1

InChI Key

GCNLRNBDDUYJMP-UHFFFAOYSA-M

Smiles

[Na+].Cc1ccc2ccccc2c1S(=O)(=O)[O-]

InChI

InChI=1/C11H10O3S.Na/c1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14;/h2-7H,1H3,(H,12,13,14);/q;+1/p-1

Property Name	Value
Molecular Formula	C11H9NaO3S
Molecular Weight	244.02
AlogP	-0.94
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	57.2
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C11H9NaO3S

Molecular Weight

244.02

AlogP

-0.94

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

57.2

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	118218-23-8
NORMAN SUSDAT
FDA SRS	1A0PLS266R

Resources

Reference

CAS NUMBER

118218-23-8

NORMAN SUSDAT

FDA SRS

1A0PLS266R

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

SODIUM 2-METHYL-1-NAPHTHALENESULFONATE

Structure

Physicochemical Descriptors

Cross References