EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form
EPA CompTox	DTXSID50873943

Keyword(s):

Surfactants

Molecule Category

Free-form

EPA CompTox

DTXSID50873943


InChI Key	FQAOYYODGBRGRL-UHFFFAOYSA-N
Smiles	OS(OCCOCCOCCCCCCCCCCCCCC)(=O)=O
InChI	InChI=1S/C18H38O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-15-16-23-17-18-24-25(19,20)21/h2-18H2,1H3,(H,19,20,21)

InChI Key

FQAOYYODGBRGRL-UHFFFAOYSA-N

Smiles

OS(OCCOCCOCCCCCCCCCCCCCC)(=O)=O

InChI

InChI=1S/C18H38O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-15-16-23-17-18-24-25(19,20)21/h2-18H2,1H3,(H,19,20,21)

Property Name	Value
Molecular Formula	C18H38O6S
Molecular Weight	382.24
AlogP	4.54
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	20.0
Polar Surface Area	82.06
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C18H38O6S

Molecular Weight

382.24

AlogP

4.54

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

20.0

Polar Surface Area

82.06

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	118033-75-3
NORMAN SUSDAT
PubChem	14928446
ChemSpider	95794012.0

Resources

Reference

CAS NUMBER

118033-75-3

NORMAN SUSDAT

PubChem

14928446

ChemSpider

95794012.0

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

2-[2-(TETRADECYLOXY)ETHOXY]ETHYL HYDROGEN SULFATE

Structure

Physicochemical Descriptors

Cross References