EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	UJ86JA89RS
EPA CompTox	DTXSID7041548

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

UJ86JA89RS

EPA CompTox

DTXSID7041548


InChI Key	YTKGLURLTLIZJG-UHFFFAOYSA-N
Smiles	Cc1ccc2NC(=S)C(=S)Nc2c1
InChI	InChI=1S/C9H8N2S2/c1-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3,(H,10,12)(H,11,13)

InChI Key

YTKGLURLTLIZJG-UHFFFAOYSA-N

Smiles

Cc1ccc2NC(=S)C(=S)Nc2c1

InChI

InChI=1S/C9H8N2S2/c1-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3,(H,10,12)(H,11,13)

Property Name	Value
Molecular Formula	C9H8N2S2
Molecular Weight	208.01
AlogP	3.26
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	31.58
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C9H8N2S2

Molecular Weight

208.01

AlogP

3.26

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

31.58

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	25625-62-1
NORMAN SUSDAT
FDA SRS	UJ86JA89RS

Resources

Reference

CAS NUMBER

25625-62-1

NORMAN SUSDAT

FDA SRS

UJ86JA89RS

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...

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Last update: Monday, 3 November 2025

2,3-QUINOXALINEDITHIONE, 1,4-DIHYDRO-6-METHYL-

Structure

Physicochemical Descriptors

Cross References