EcoDrugPlus


Keyword(s):	Drinking Water Chemicals
Molecule Category	Salt-form
UNII	FT7KJ97OK6
EPA CompTox	DTXSID7047487

Keyword(s):

Drinking Water Chemicals

Molecule Category

Salt-form

UNII

FT7KJ97OK6

EPA CompTox

DTXSID7047487


InChI Key	FTWCSAMTIKSPAT-UHFFFAOYSA-M
Smiles	[Na+].CCCCCCCCCOS([O-])(=O)=O
InChI	InChI=1S/C9H20O4S.Na/c1-2-3-4-5-6-7-8-9-13-14(10,11)12;/h2-9H2,1H3,(H,10,11,12);/q;+1/p-1

InChI Key

FTWCSAMTIKSPAT-UHFFFAOYSA-M

Smiles

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

InChI

InChI=1S/C9H20O4S.Na/c1-2-3-4-5-6-7-8-9-13-14(10,11)12;/h2-9H2,1H3,(H,10,11,12);/q;+1/p-1

Property Name	Value
Molecular Formula	C9H19NaO4S
Molecular Weight	246.09
AlogP	-0.78
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	9.0
Polar Surface Area	66.43
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C9H19NaO4S

Molecular Weight

246.09

AlogP

-0.78

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

9.0

Polar Surface Area

66.43

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	1072-15-7
NORMAN SUSDAT
FDA SRS	FT7KJ97OK6
PubChem	23677967
ChemSpider	63786.0

Resources

Reference

CAS NUMBER

1072-15-7

NORMAN SUSDAT

FDA SRS

FT7KJ97OK6

PubChem

23677967

ChemSpider

63786.0

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...

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Last update: Monday, 3 November 2025

SODIUM NONYL SULFATE

Structure

Physicochemical Descriptors

Cross References