EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Drinking Water Chemicals ; Plastic additives
Molecule Category	Salt-form
UNII	6RZL727210
EPA CompTox	DTXSID9036226

Keyword(s):

Food Contact Chemicals ; Drinking Water Chemicals ; Plastic additives

Molecule Category

Salt-form

UNII

6RZL727210

EPA CompTox

DTXSID9036226


InChI Key	WFRKJMRGXGWHBM-UHFFFAOYSA-M
Smiles	[Na+].CCCCCCCCOS(=O)(=O)[O-]
InChI	InChI=1/C8H18O4S.Na/c1-2-3-4-5-6-7-8-12-13(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1

InChI Key

WFRKJMRGXGWHBM-UHFFFAOYSA-M

Smiles

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

InChI

InChI=1/C8H18O4S.Na/c1-2-3-4-5-6-7-8-12-13(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1

Property Name	Value
Molecular Formula	C8H17NaO4S
Molecular Weight	232.07
AlogP	-1.17
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	8.0
Polar Surface Area	66.43
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C8H17NaO4S

Molecular Weight

232.07

AlogP

-1.17

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

8.0

Polar Surface Area

66.43

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	142-31-4
NORMAN SUSDAT
FDA SRS	6RZL727210

Resources

Reference

CAS NUMBER

142-31-4

NORMAN SUSDAT

FDA SRS

6RZL727210

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 OCTYL SULPHATE

Structure

Physicochemical Descriptors

Cross References