EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	8L64X552R3
EPA CompTox	DTXSID90958162

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

8L64X552R3

EPA CompTox

DTXSID90958162


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

InChI Key

OFZRVUCVOAUMDT-UHFFFAOYSA-M

Smiles

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

InChI

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

Property Name	Value
Molecular Formula	C5H10KNS2
Molecular Weight	186.99
AlogP	-1.84
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	3.24
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C5H10KNS2

Molecular Weight

186.99

AlogP

-1.84

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

3.24

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	3699-30-7
NORMAN SUSDAT
FDA SRS	8L64X552R3

Resources

Reference

CAS NUMBER

3699-30-7

NORMAN SUSDAT

FDA SRS

8L64X552R3

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

POTASSIUM DIETHYLDITHIOCARBAMATE

Structure

Physicochemical Descriptors

Cross References