EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8372J8V89N
EPA CompTox	DTXSID0062501

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8372J8V89N

EPA CompTox

DTXSID0062501


InChI Key	DZWTXWPRWRLHIL-UHFFFAOYSA-N
Smiles	Cc1ccc2nc(N)sc2c1
InChI	InChI=1S/C8H8N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H2,9,10)

InChI Key

DZWTXWPRWRLHIL-UHFFFAOYSA-N

Smiles

Cc1ccc2nc(N)sc2c1

InChI

InChI=1S/C8H8N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H2,9,10)

Property Name	Value
Molecular Formula	C8H8N2S1
Molecular Weight	164.04
AlogP	2.02
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	39.64
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C8H8N2S1

Molecular Weight

164.04

AlogP

2.02

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

39.64

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	2536-91-6
NORMAN SUSDAT
FDA SRS	8372J8V89N
PubChem	17335
ChemSpider	16405.0

Resources

Reference

CAS NUMBER

2536-91-6

NORMAN SUSDAT

FDA SRS

8372J8V89N

PubChem

17335

ChemSpider

16405.0

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-BENZOTHIAZOLAMINE, 6-METHYL-

Structure

Physicochemical Descriptors

Cross References