EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2S78T9T08C
EPA CompTox	DTXSID6040115

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2S78T9T08C

EPA CompTox

DTXSID6040115


InChI Key	BIGYLAKFCGVRAN-UHFFFAOYSA-N
Smiles	C1(=S)NNC(=S)S1
InChI	InChI=1S/C2H2N2S3/c5-1-3-4-2(6)7-1/h(H,3,5)(H,4,6)

InChI Key

BIGYLAKFCGVRAN-UHFFFAOYSA-N

Smiles

C1(=S)NNC(=S)S1

InChI

InChI=1S/C2H2N2S3/c5-1-3-4-2(6)7-1/h(H,3,5)(H,4,6)

Property Name	Value
Molecular Formula	C2H2N2S3
Molecular Weight	149.94
AlogP	1.12
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Polar Surface Area	25.78
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C2H2N2S3

Molecular Weight

149.94

AlogP

1.12

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Polar Surface Area

25.78

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	1072-71-5
NORMAN SUSDAT
FDA SRS	2S78T9T08C
PubChem	2723630
ChemSpider	2005832.0

Resources

Reference

CAS NUMBER

1072-71-5

NORMAN SUSDAT

FDA SRS

2S78T9T08C

PubChem

2723630

ChemSpider

2005832.0

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

2,5-DIMERCAPTO-1,3,4-THIADIAZOLE

Structure

Physicochemical Descriptors

Cross References