EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	343BH0S0XR
EPA CompTox	DTXSID10183494

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

343BH0S0XR

EPA CompTox

DTXSID10183494


InChI Key	PRNNIHPVNFPWAH-UHFFFAOYSA-N
Smiles	O=S(=O)(C1=CC=C(F)C=C1)CC
InChI	InChI=1/C8H9FO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3

InChI Key

PRNNIHPVNFPWAH-UHFFFAOYSA-N

Smiles

O=S(=O)(C1=CC=C(F)C=C1)CC

InChI

InChI=1/C8H9FO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3

Property Name	Value
Molecular Formula	C8H9FO2S
Molecular Weight	188.03
AlogP	1.62
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	34.14
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C8H9FO2S

Molecular Weight

188.03

AlogP

1.62

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

34.14

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	2924-67-6
NORMAN SUSDAT
FDA SRS	343BH0S0XR
PubChem	71814

Resources

Reference

CAS NUMBER

2924-67-6

NORMAN SUSDAT

FDA SRS

343BH0S0XR

PubChem

71814

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

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Structure

Physicochemical Descriptors

Cross References