EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Z7P3YF9P8H
EPA CompTox	DTXSID5024477

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Z7P3YF9P8H

EPA CompTox

DTXSID5024477


InChI Key	GHKHTBMTSUEBJD-UHFFFAOYSA-N
Smiles	Clc1cc2[nH]c(=N)sc2cc1Cl
InChI	InChI=1S/C7H4Cl2N2S/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H,(H2,10,11)

InChI Key

GHKHTBMTSUEBJD-UHFFFAOYSA-N

Smiles

Clc1cc2[nH]c(=N)sc2cc1Cl

InChI

InChI=1S/C7H4Cl2N2S/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H,(H2,10,11)

Property Name	Value
Molecular Formula	C7H4Cl2N2S1
Molecular Weight	217.95
AlogP	3.02
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	39.64
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C7H4Cl2N2S1

Molecular Weight

217.95

AlogP

3.02

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

39.64

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	24072-75-1
NORMAN SUSDAT
FDA SRS	Z7P3YF9P8H
PubChem	32206
ChemSpider	29866.0

Resources

Reference

CAS NUMBER

24072-75-1

NORMAN SUSDAT

FDA SRS

Z7P3YF9P8H

PubChem

32206

ChemSpider

29866.0

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...

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

Last update: Monday, 3 November 2025

2-AMINO-5,6-DICHLOROBENZOTHIAZOLE

Structure

Physicochemical Descriptors

Cross References