EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7O50LKL2G8
EPA CompTox	DTXSID4026002

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7O50LKL2G8

EPA CompTox

DTXSID4026002


InChI Key	KIWUVOGUEXMXSV-UHFFFAOYSA-N
Smiles	O=C1CSC(=S)N1
InChI	InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)

InChI Key

KIWUVOGUEXMXSV-UHFFFAOYSA-N

Smiles

O=C1CSC(=S)N1

InChI

InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)

Property Name	Value
Molecular Formula	C3H3N1O1S2
Molecular Weight	132.97
AlogP	0.97
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	32.59
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C3H3N1O1S2

Molecular Weight

132.97

AlogP

0.97

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

32.59

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	141-84-4
NORMAN SUSDAT
FDA SRS	7O50LKL2G8
PubChem	1201546
ChemSpider	1013337.0

Resources

Reference

CAS NUMBER

141-84-4

NORMAN SUSDAT

FDA SRS

7O50LKL2G8

PubChem

1201546

ChemSpider

1013337.0

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

RHODANINE

Structure

Physicochemical Descriptors

Cross References