EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	DYT2YS4NM9
EPA CompTox	DTXSID00240621

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

DYT2YS4NM9

EPA CompTox

DTXSID00240621


InChI Key	PENUZPQXEOSXGJ-UHFFFAOYSA-N
Smiles	CCOc1ccc2nc(NC(=O)CS)sc2c1
InChI	InChI=1S/C11H12N2O2S2/c1-2-15-7-3-4-8-9(5-7)17-11(12-8)13-10(14)6-16/h3-5,16H,2,6H2,1H3,(H,12,13,14)

InChI Key

PENUZPQXEOSXGJ-UHFFFAOYSA-N

Smiles

CCOc1ccc2nc(NC(=O)CS)sc2c1

InChI

InChI=1S/C11H12N2O2S2/c1-2-15-7-3-4-8-9(5-7)17-11(12-8)13-10(14)6-16/h3-5,16H,2,6H2,1H3,(H,12,13,14)

Property Name	Value
Molecular Formula	C11H12N2O2S2
Molecular Weight	268.03
AlogP	3.21
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	54.71
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C11H12N2O2S2

Molecular Weight

268.03

AlogP

3.21

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

54.71

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	94109-71-4
NORMAN SUSDAT
FDA SRS	DYT2YS4NM9
PubChem	3023608
ChemSpider	2289754.0

Resources

Reference

CAS NUMBER

94109-71-4

NORMAN SUSDAT

FDA SRS

DYT2YS4NM9

PubChem

3023608

ChemSpider

2289754.0

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, 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

N-(6-ETHOXYBENZOTHIAZOL-2-YL)-2-MERCAPTOACETAMIDE

Structure

Physicochemical Descriptors

Cross References