EcoDrugPlus


Keyword(s):	Drinking Water Chemicals ; Human Neurotoxin
Molecule Category	Free-form
UNII	K221E12G7T
EPA CompTox	DTXSID9020794

Keyword(s):

Drinking Water Chemicals ; Human Neurotoxin

Molecule Category

Free-form

UNII

K221E12G7T

EPA CompTox

DTXSID9020794


InChI Key	YKSNLCVSTHTHJA-UHFFFAOYSA-L
Smiles	[Mn++].[S-]C(=S)NCCNC([S-])=S
InChI	InChI=1S/C4H8N2S4.Mn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2

InChI Key

YKSNLCVSTHTHJA-UHFFFAOYSA-L

Smiles

[Mn++].[S-]C(=S)NCCNC([S-])=S

InChI

InChI=1S/C4H8N2S4.Mn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2

Property Name	Value
Molecular Formula	C4H6MnN2S4
Molecular Weight	264.88
AlogP	0.65
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	24.72
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C4H6MnN2S4

Molecular Weight

264.88

AlogP

0.65

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

24.72

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	12427-38-2
NORMAN SUSDAT
FDA SRS	K221E12G7T
PubChem	3032581
ChemSpider	2297517.0

Resources

Reference

CAS NUMBER

12427-38-2

NORMAN SUSDAT

FDA SRS

K221E12G7T

PubChem

3032581

ChemSpider

2297517.0

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

MANEB

Structure

Physicochemical Descriptors

Cross References