EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2PAW227HMB
EPA CompTox	DTXSID0024470

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2PAW227HMB

EPA CompTox

DTXSID0024470


InChI Key	OEQQFQXMCPMEIH-UHFFFAOYSA-N
Smiles	Nc1nc2c(s1)cccc2Cl
InChI	InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)

InChI Key

OEQQFQXMCPMEIH-UHFFFAOYSA-N

Smiles

Nc1nc2c(s1)cccc2Cl

InChI

InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)

Property Name	Value
Molecular Formula	C7H5Cl1N2S1
Molecular Weight	183.99
AlogP	2.36
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	39.64
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C7H5Cl1N2S1

Molecular Weight

183.99

AlogP

2.36

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

39.64

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	19952-47-7
NORMAN SUSDAT
FDA SRS	2PAW227HMB
PubChem	29872
ChemSpider	27756.0

Resources

Reference

CAS NUMBER

19952-47-7

NORMAN SUSDAT

FDA SRS

2PAW227HMB

PubChem

29872

ChemSpider

27756.0

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-AMINO-4-CHLOROBENZOTHIAZOLE

Structure

Physicochemical Descriptors

Cross References