EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID6066995

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID6066995


InChI Key	AXESYVVAZRMSJN-UHFFFAOYSA-N
Smiles	C=CCN1CCNC1=S
InChI	InChI=1S/C6H10N2S/c1-2-4-8-5-3-7-6(8)9/h2H,1,3-5H2,(H,7,9)

InChI Key

AXESYVVAZRMSJN-UHFFFAOYSA-N

Smiles

C=CCN1CCNC1=S

InChI

InChI=1S/C6H10N2S/c1-2-4-8-5-3-7-6(8)9/h2H,1,3-5H2,(H,7,9)

Property Name	Value
Molecular Formula	C6H10N2S1
Molecular Weight	142.06
AlogP	0.77
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	15.6
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C6H10N2S1

Molecular Weight

142.06

AlogP

0.77

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

15.6

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	24521-43-5
NORMAN SUSDAT
PubChem	3034348
ChemSpider	2298826.0

Resources

Reference

CAS NUMBER

24521-43-5

NORMAN SUSDAT

PubChem

3034348

ChemSpider

2298826.0

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...

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Last update: Monday, 3 November 2025

2-IMIDAZOLIDINETHIONE, 1-(2-PROPENYL)-

Structure

Physicochemical Descriptors

Cross References