EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	3V3Y3O7BIQ
EPA CompTox	DTXSID0042400

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

3V3Y3O7BIQ

EPA CompTox

DTXSID0042400


InChI Key	GGHPAKFFUZUEKL-UHFFFAOYSA-M
Smiles	[Na+].CCCCCCCCCCCCCCCCOS(=O)(=O)[O-]
InChI	InChI=1/C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1

InChI Key

GGHPAKFFUZUEKL-UHFFFAOYSA-M

Smiles

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

InChI

InChI=1/C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1

Property Name	Value
Molecular Formula	C16H33NaO4S
Molecular Weight	344.2
AlogP	1.95
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	16.0
Polar Surface Area	66.43
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C16H33NaO4S

Molecular Weight

344.2

AlogP

1.95

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

16.0

Polar Surface Area

66.43

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	1120-01-0
NORMAN SUSDAT
FDA SRS	3V3Y3O7BIQ

Resources

Reference

CAS NUMBER

1120-01-0

NORMAN SUSDAT

FDA SRS

3V3Y3O7BIQ

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 HEXADECYL SULPHATE

Structure

Physicochemical Descriptors

Cross References