EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	WXM6XM2GVH
EPA CompTox	DTXSID00212126

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

WXM6XM2GVH

EPA CompTox

DTXSID00212126


InChI Key	BFPOTPQZZKKKIR-UHFFFAOYSA-N
Smiles	NNC(=O)CCSCCC(=O)NN
InChI	InChI=1S/C6H14N4O2S/c7-9-5(11)1-3-13-4-2-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)

InChI Key

BFPOTPQZZKKKIR-UHFFFAOYSA-N

Smiles

NNC(=O)CCSCCC(=O)NN

InChI

InChI=1S/C6H14N4O2S/c7-9-5(11)1-3-13-4-2-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)

Property Name	Value
Molecular Formula	C6H14N4O2S1
Molecular Weight	206.08
AlogP	0.16
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	6.0
Polar Surface Area	117.22
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C6H14N4O2S1

Molecular Weight

206.08

AlogP

0.16

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

6.0

Polar Surface Area

117.22

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	6292-68-8
NORMAN SUSDAT
FDA SRS	WXM6XM2GVH
PubChem	80513
ChemSpider	72712.0

Resources

Reference

CAS NUMBER

6292-68-8

NORMAN SUSDAT

FDA SRS

WXM6XM2GVH

PubChem

80513

ChemSpider

72712.0

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, 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

3,3'-THIODIPROPIONODIHYDRAZIDE

Structure

Physicochemical Descriptors

Cross References