EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Y1VY10Q33P
EPA CompTox	DTXSID90866258

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Y1VY10Q33P

EPA CompTox

DTXSID90866258


InChI Key	QCIOXFPPEGZRFY-UHFFFAOYSA-N
Smiles	N1=CSC(=C1CC)C
InChI	InChI=1/C6H9NS/c1-3-6-5(2)8-4-7-6/h4H,3H2,1-2H3

InChI Key

QCIOXFPPEGZRFY-UHFFFAOYSA-N

Smiles

N1=CSC(=C1CC)C

InChI

InChI=1/C6H9NS/c1-3-6-5(2)8-4-7-6/h4H,3H2,1-2H3

Property Name	Value
Molecular Formula	C6H9NS
Molecular Weight	127.05
AlogP	2.01
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	12.89
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C6H9NS

Molecular Weight

127.05

AlogP

2.01

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

12.89

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	52414-91-2
NORMAN SUSDAT
FDA SRS	Y1VY10Q33P
PubChem	521384

Resources

Reference

CAS NUMBER

52414-91-2

NORMAN SUSDAT

FDA SRS

Y1VY10Q33P

PubChem

521384

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

4-ETHYL-5-METHYLTHIAZOLE

Structure

Physicochemical Descriptors

Cross References