EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
EPA CompTox	DTXSID3021275

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

EPA CompTox

DTXSID3021275


InChI Key	WWGXHTXOZKVJDN-UHFFFAOYSA-M
Smiles	O.O.O.[Na+].CCN(CC)C([S-])=S
InChI	InChI=1S/C5H11NS2.Na.3H2O/c1-3-6(4-2)5(7)8;;;;/h3-4H2,1-2H3,(H,7,8);;3*1H2/q;+1;;;/p-1

InChI Key

WWGXHTXOZKVJDN-UHFFFAOYSA-M

Smiles

O.O.O.[Na+].CCN(CC)C([S-])=S

InChI

InChI=1S/C5H11NS2.Na.3H2O/c1-3-6(4-2)5(7)8;;;;/h3-4H2,1-2H3,(H,7,8);;3*1H2/q;+1;;;/p-1

Property Name	Value
Molecular Formula	C5H16NNaO3S2
Molecular Weight	225.05
AlogP	-4.31
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	97.74
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C5H16NNaO3S2

Molecular Weight

225.05

AlogP

-4.31

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

97.74

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	20624-25-3
NORMAN SUSDAT
PubChem	517546

Resources

Reference

CAS NUMBER

20624-25-3

NORMAN SUSDAT

PubChem

517546

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 ETHYLENE BIS DITHIOCARBAMATE

Structure

Physicochemical Descriptors

Cross References