EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form
UNII	6VOC18EIBH
EPA CompTox	DTXSID8041292

Keyword(s):

Surfactants

Molecule Category

Free-form

UNII

6VOC18EIBH

EPA CompTox

DTXSID8041292


InChI Key	URLJMZWTXZTZRR-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCOS(O)(=O)=O
InChI	InChI=1S/C14H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H,15,16,17)

InChI Key

URLJMZWTXZTZRR-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCOS(O)(=O)=O

InChI

InChI=1S/C14H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H,15,16,17)

Property Name	Value
Molecular Formula	C14H30O4S1
Molecular Weight	294.19
AlogP	4.51
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	14.0
Polar Surface Area	63.6
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C14H30O4S1

Molecular Weight

294.19

AlogP

4.51

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

14.0

Polar Surface Area

63.6

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	4754-44-3
NORMAN SUSDAT
FDA SRS	6VOC18EIBH
PubChem	88769738
ChemSpider	5058.0

Resources

Reference

CAS NUMBER

4754-44-3

NORMAN SUSDAT

FDA SRS

6VOC18EIBH

PubChem

88769738

ChemSpider

5058.0

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

TETRADECYL SULFATE

Structure

Physicochemical Descriptors

Cross References