EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form
UNII	3PLL13D5K4
EPA CompTox	DTXSID8042428

Keyword(s):

Surfactants

Molecule Category

Free-form

UNII

3PLL13D5K4

EPA CompTox

DTXSID8042428


InChI Key	CSMFSDCPJHNZRY-UHFFFAOYSA-N
Smiles	CCCCCCCCCCOS(O)(=O)=O
InChI	InChI=1S/C10H22O4S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H,11,12,13)

InChI Key

CSMFSDCPJHNZRY-UHFFFAOYSA-N

Smiles

CCCCCCCCCCOS(O)(=O)=O

InChI

InChI=1S/C10H22O4S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H,11,12,13)

Property Name	Value
Molecular Formula	C10H22O4S1
Molecular Weight	238.12
AlogP	2.95
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	10.0
Polar Surface Area	63.6
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C10H22O4S1

Molecular Weight

238.12

AlogP

2.95

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

10.0

Polar Surface Area

63.6

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	142-98-3
NORMAN SUSDAT
FDA SRS	3PLL13D5K4
PubChem	57483170
ChemSpider	8564.0

Resources

Reference

CAS NUMBER

142-98-3

NORMAN SUSDAT

FDA SRS

3PLL13D5K4

PubChem

57483170

ChemSpider

8564.0

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

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Structure

Physicochemical Descriptors

Cross References