EcoDrugPlus


Keyword(s):	Drinking Water Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID701252564

Keyword(s):

Drinking Water Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID701252564


InChI Key	XEEYSDHEOQHCDA-UHFFFAOYSA-M
Smiles	CC(=C)CS(=O)(=O)[O-]
InChI	InChI=1S/C4H8O3S/c1-4(2)3-8(5,6)7/h1,3H2,2H3,(H,5,6,7)/p-1

InChI Key

XEEYSDHEOQHCDA-UHFFFAOYSA-M

Smiles

CC(=C)CS(=O)(=O)[O-]

InChI

InChI=1S/C4H8O3S/c1-4(2)3-8(5,6)7/h1,3H2,2H3,(H,5,6,7)/p-1

Property Name	Value
Molecular Formula	C4H7O3S
Molecular Weight	135.01
AlogP	0.11
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	57.2
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C4H7O3S

Molecular Weight

135.01

AlogP

0.11

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

57.2

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	345909-54-8
NORMAN SUSDAT
PubChem	3262020
ChemSpider	2511813.0

Resources

Reference

CAS NUMBER

345909-54-8

NORMAN SUSDAT

PubChem

3262020

ChemSpider

2511813.0

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-PROPENE-1-SULFONIC ACID, 2-METHYL-, ION(1-)

Structure

Physicochemical Descriptors

Cross References