EcoDrugPlus


Keyword(s):	Drinking Water Chemicals
Molecule Category	Salt-form
UNII	HR8O7441H1
EPA CompTox	DTXSID701036011

Keyword(s):

Drinking Water Chemicals

Molecule Category

Salt-form

UNII

HR8O7441H1

EPA CompTox

DTXSID701036011


InChI Key	NVIZQHFCDBQNPH-UHFFFAOYSA-M
Smiles	C(CCCCCCCCCCC)(=O)OC(CS(=O)(=O)[O-])C.[Na+]
InChI	InChI=1/C15H30O5S.Na/c1-3-4-5-6-7-8-9-10-11-12-15(16)20-14(2)13-21(17,18)19;/h14H,3-13H2,1-2H3,(H,17,18,19);/q;+1/p-1

InChI Key

NVIZQHFCDBQNPH-UHFFFAOYSA-M

Smiles

C(CCCCCCCCCCC)(=O)OC(CS(=O)(=O)[O-])C.[Na+]

InChI

InChI=1/C15H30O5S.Na/c1-3-4-5-6-7-8-9-10-11-12-15(16)20-14(2)13-21(17,18)19;/h14H,3-13H2,1-2H3,(H,17,18,19);/q;+1/p-1

Property Name	Value
Molecular Formula	C15H29NaO5S
Molecular Weight	344.16
AlogP	0.39
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	13.0
Polar Surface Area	83.5
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C15H29NaO5S

Molecular Weight

344.16

AlogP

0.39

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

13.0

Polar Surface Area

83.5

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	156572-81-5
NORMAN SUSDAT
FDA SRS	HR8O7441H1
PubChem	71488934
ChemSpider	29272378.0

Resources

Reference

CAS NUMBER

156572-81-5

NORMAN SUSDAT

FDA SRS

HR8O7441H1

PubChem

71488934

ChemSpider

29272378.0

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...

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Last update: Monday, 3 November 2025

SODIUM LAUROYL 2-METHYL ISETHIONATE

Structure

Physicochemical Descriptors

Cross References