EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Salt-form

Keyword(s):

Surfactants

Molecule Category

Salt-form


InChI Key	HVWGGPRWKSHASF-UHFFFAOYSA-N
Smiles	[Na+].CCCCCCCCCCCCCCCCCCO[S]([O-])(=O)=O.CCCCCCCCCCCCCCCCO[S]([O-])(=O)=O
InChI	InChI=1S/C18H38O4S.C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-18H2,1H3,(H,19,20,21);2-16H2,1H3,(H,17,18,19);/q;;+1/p-2

InChI Key

HVWGGPRWKSHASF-UHFFFAOYSA-N

Smiles

[Na+].CCCCCCCCCCCCCCCCCCO[S]([O-])(=O)=O.CCCCCCCCCCCCCCCCO[S]([O-])(=O)=O

InChI

InChI=1S/C18H38O4S.C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-18H2,1H3,(H,19,20,21);2-16H2,1H3,(H,17,18,19);/q;;+1/p-2

Property Name	Value
Molecular Formula	C18H38O4S1
Molecular Weight	693.44
AlogP	7.67
Hydrogen Bond Acceptor	8.0
Number of Rotational Bond	34.0
Polar Surface Area	132.86
Heavy Atoms	45.0

Property Name

Value

Molecular Formula

C18H38O4S1

Molecular Weight

693.44

AlogP

7.67

Hydrogen Bond Acceptor

8.0

Number of Rotational Bond

34.0

Polar Surface Area

132.86

Heavy Atoms

45.0

Resources	Reference
CAS NUMBER	59186-41-3
NORMAN SUSDAT
PubChem	8912
ChemSpider	8572.0

Resources

Reference

CAS NUMBER

59186-41-3

NORMAN SUSDAT

PubChem

8912

ChemSpider

8572.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

SODIUM CETEARYL SUL- FATE

Structure

Physicochemical Descriptors

Cross References