EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	5LKM8HMH9X
EPA CompTox	DTXSID90149992

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

5LKM8HMH9X

EPA CompTox

DTXSID90149992


InChI Key	QVWCHVAUHZEAAT-UHFFFAOYSA-N
Smiles	Fc1nc2ccccc2s1
InChI	InChI=1S/C7H4FNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H

InChI Key

QVWCHVAUHZEAAT-UHFFFAOYSA-N

Smiles

Fc1nc2ccccc2s1

InChI

InChI=1S/C7H4FNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H

Property Name	Value
Molecular Formula	C7H4F1N1S1
Molecular Weight	153.0
AlogP	2.44
Hydrogen Bond Acceptor	2.0
Polar Surface Area	12.89
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C7H4F1N1S1

Molecular Weight

153.0

AlogP

2.44

Hydrogen Bond Acceptor

2.0

Polar Surface Area

12.89

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	1123-98-4
NORMAN SUSDAT
FDA SRS	5LKM8HMH9X
PubChem	70753
ChemSpider	63918.0

Resources

Reference

CAS NUMBER

1123-98-4

NORMAN SUSDAT

FDA SRS

5LKM8HMH9X

PubChem

70753

ChemSpider

63918.0

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-FLUOROBENZOTHIAZOLE

Structure

Physicochemical Descriptors

Cross References