EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	003VPM353K
EPA CompTox	DTXSID1052741

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

003VPM353K

EPA CompTox

DTXSID1052741


InChI Key	KKMLIVYBGSAJPM-UHFFFAOYSA-L
Smiles	[Zn++].CC(CNC([S-])=S)NC([S-])=S
InChI	InChI=1S/C5H10N2S4.Zn/c1-3(7-5(10)11)2-6-4(8)9;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);/q;+2/p-2

InChI Key

KKMLIVYBGSAJPM-UHFFFAOYSA-L

Smiles

[Zn++].CC(CNC([S-])=S)NC([S-])=S

InChI

InChI=1S/C5H10N2S4.Zn/c1-3(7-5(10)11)2-6-4(8)9;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);/q;+2/p-2

Property Name	Value
Molecular Formula	C5H8N2S4Zn
Molecular Weight	287.89
AlogP	1.04
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	24.72
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C5H8N2S4Zn

Molecular Weight

287.89

AlogP

1.04

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

24.72

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	12071-83-9
NORMAN SUSDAT
FDA SRS	003VPM353K
PubChem	3032571

Resources

Reference

CAS NUMBER

12071-83-9

NORMAN SUSDAT

FDA SRS

003VPM353K

PubChem

3032571

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

PROPINEB

Structure

Physicochemical Descriptors

Cross References