EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	JJDWPEXDAY
EPA CompTox	DTXSID60145885

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

JJDWPEXDAY

EPA CompTox

DTXSID60145885


InChI Key	LVUQDNJRAHUUSB-UHFFFAOYSA-N
Smiles	Clc1c(Cl)c(=S)c(Cl)c(Cl)[nH]1
InChI	InChI=1S/C5HCl4NS/c6-1-3(11)2(7)5(9)10-4(1)8/h(H,10,11)

InChI Key

LVUQDNJRAHUUSB-UHFFFAOYSA-N

Smiles

Clc1c(Cl)c(=S)c(Cl)c(Cl)[nH]1

InChI

InChI=1S/C5HCl4NS/c6-1-3(11)2(7)5(9)10-4(1)8/h(H,10,11)

Property Name	Value
Molecular Formula	C5H1Cl4N1S1
Molecular Weight	246.86
AlogP	3.98
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	12.89
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C5H1Cl4N1S1

Molecular Weight

246.86

AlogP

3.98

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

12.89

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	10351-06-1
NORMAN SUSDAT
FDA SRS	JJDWPEXDAY
PubChem	3034212
ChemSpider	2298717.0

Resources

Reference

CAS NUMBER

10351-06-1

NORMAN SUSDAT

FDA SRS

JJDWPEXDAY

PubChem

3034212

ChemSpider

2298717.0

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...

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Last update: Monday, 3 November 2025

2,3,5,6-TETRACHLOROPYRIDINE-4-THIOL

Structure

Physicochemical Descriptors

Cross References