EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	3880P18UBM
EPA CompTox	DTXSID701035794

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

3880P18UBM

EPA CompTox

DTXSID701035794


InChI Key	COCJIVDXXCJXND-UHFFFAOYSA-M
Smiles	[Na+].O=S(=O)([O-])CI
InChI	InChI=1/CH3IO3S.Na/c2-1-6(3,4)5;/h1H2,(H,3,4,5);/q;+1/p-1

InChI Key

COCJIVDXXCJXND-UHFFFAOYSA-M

Smiles

[Na+].O=S(=O)([O-])CI

InChI

InChI=1/CH3IO3S.Na/c2-1-6(3,4)5;/h1H2,(H,3,4,5);/q;+1/p-1

Property Name	Value
Molecular Formula	CH3IO3S
Molecular Weight	243.87
AlogP	-3.07
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	57.2
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

CH3IO3S

Molecular Weight

243.87

AlogP

-3.07

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

57.2

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	126-31-8
NORMAN SUSDAT
FDA SRS	3880P18UBM
PubChem	31346

Resources

Reference

CAS NUMBER

126-31-8

NORMAN SUSDAT

FDA SRS

3880P18UBM

PubChem

31346

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

METHIODAL SODIUM

Structure

Physicochemical Descriptors

Cross References