EcoDrugPlus


Keyword(s):	Human Neurotoxin
Molecule Category	Salt-form
UNII	E4768ZY6GM
EPA CompTox	DTXSID20896942

Keyword(s):

Human Neurotoxin

Molecule Category

Salt-form

UNII

E4768ZY6GM

EPA CompTox

DTXSID20896942


InChI Key	XJHSMFDIQHVMCY-UHFFFAOYSA-M
Smiles	[Au+].OC(=O)CC([S-])C(O)=O
InChI	InChI=1S/C4H6O4S.Au/c5-3(6)1-2(9)4(7)8;/h2,9H,1H2,(H,5,6)(H,7,8);/q;+1/p-1

InChI Key

XJHSMFDIQHVMCY-UHFFFAOYSA-M

Smiles

[Au+].OC(=O)CC([S-])C(O)=O

InChI

InChI=1S/C4H6O4S.Au/c5-3(6)1-2(9)4(7)8;/h2,9H,1H2,(H,5,6)(H,7,8);/q;+1/p-1

Property Name	Value
Molecular Formula	C4H5AuO4S
Molecular Weight	345.96
AlogP	-1.49
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	77.43
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C4H5AuO4S

Molecular Weight

345.96

AlogP

-1.49

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

77.43

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	12244-57-4
NORMAN SUSDAT
FDA SRS	E4768ZY6GM

Resources

Reference

CAS NUMBER

12244-57-4

NORMAN SUSDAT

FDA SRS

E4768ZY6GM

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

AUROTHIOMALATE

Structure

Physicochemical Descriptors

Cross References