EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	19M98WOF3F
EPA CompTox	DTXSID20184038

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

19M98WOF3F

EPA CompTox

DTXSID20184038


InChI Key	MFQABLFJUQNPAC-UHFFFAOYSA-N
Smiles	CCC(=O)C1=NCCS1
InChI	InChI=1S/C6H9NOS/c1-2-5(8)6-7-3-4-9-6/h2-4H2,1H3

InChI Key

MFQABLFJUQNPAC-UHFFFAOYSA-N

Smiles

CCC(=O)C1=NCCS1

InChI

InChI=1S/C6H9NOS/c1-2-5(8)6-7-3-4-9-6/h2-4H2,1H3

Property Name	Value
Molecular Formula	C6H9N1O1S1
Molecular Weight	143.04
AlogP	1.11
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	29.43
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C6H9N1O1S1

Molecular Weight

143.04

AlogP

1.11

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

29.43

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	29926-42-9
NORMAN SUSDAT
FDA SRS	19M98WOF3F

Resources

Reference

CAS NUMBER

29926-42-9

NORMAN SUSDAT

FDA SRS

19M98WOF3F

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

2-PROPIONYL-2-THIAZOLINE

Structure

Physicochemical Descriptors

Cross References