EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	F7W8SD7W42
EPA CompTox	DTXSID30181477

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

F7W8SD7W42

EPA CompTox

DTXSID30181477


InChI Key	OQFSYHWITGFERZ-UHFFFAOYSA-N
Smiles	[O-]S(=O)(=O)CCBr
InChI	InChI=1S/C2H5BrO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)

InChI Key

OQFSYHWITGFERZ-UHFFFAOYSA-N

Smiles

[O-]S(=O)(=O)CCBr

InChI

InChI=1S/C2H5BrO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)

Property Name	Value
Molecular Formula	C2H5Br1O3S1
Molecular Weight	187.91
AlogP	0.27
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	54.37
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C2H5Br1O3S1

Molecular Weight

187.91

AlogP

0.27

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

54.37

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	26978-65-4
NORMAN SUSDAT
FDA SRS	F7W8SD7W42
PubChem	33662
ChemSpider	31046.0

Resources

Reference

CAS NUMBER

26978-65-4

NORMAN SUSDAT

FDA SRS

F7W8SD7W42

PubChem

33662

ChemSpider

31046.0

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-BROMOETHANESULFONIC ACID

Structure

Physicochemical Descriptors

Cross References