EcoDrugPlus


Synonyms	Thiosulfate
Status
Molecule Category	Free-form
UNII	7K79Y2EKKP
EPA CompTox	DTXSID00159981

Synonyms

Thiosulfate

Status

Molecule Category

Free-form

UNII

7K79Y2EKKP

EPA CompTox

DTXSID00159981


InChI Key	DHCDFWKWKRSZHF-UHFFFAOYSA-N
Smiles	O=S(O)(O)=S
InChI	InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)

InChI Key

DHCDFWKWKRSZHF-UHFFFAOYSA-N

Smiles

O=S(O)(O)=S

InChI

InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)

Property Name	Value
Molecular Formula	H2O3S2
Molecular Weight	114.15
AlogP	-0.28
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	54.37
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	5.0

Property Name

Value

Molecular Formula

H2O3S2

Molecular Weight

114.15

AlogP

-0.28

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

54.37

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

5.0

Resources	Reference
CAS NUMBER	13686-28-7
ChEBI	29279
ChEMBL	CHEMBL1208642
DrugBank	DB09499
FDA SRS	7K79Y2EKKP
Human Metabolome Database	HMDB0000257
KEGG	C05529
PubChem	24478
SureChEMBL	SCHEMBL3742
ZINC	ZINC000008214573

Resources

Reference

CAS NUMBER

ChEBI

ChEMBL

DrugBank

FDA SRS

Human Metabolome Database

KEGG

PubChem

SureChEMBL

ZINC

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, 23^rd March 2026

THIOSULFURIC ACID

Structure

Physicochemical Descriptors

Cross References