EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	36ZRM33AXY
EPA CompTox	DTXSID5066451

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

36ZRM33AXY

EPA CompTox

DTXSID5066451


InChI Key	SFZLAIOIVCOPBG-UHFFFAOYSA-N
Smiles	CCCSc1c(Cl)c(Cl)nc(Cl)c1Cl
InChI	InChI=1S/C8H7Cl4NS/c1-2-3-14-6-4(9)7(11)13-8(12)5(6)10/h2-3H2,1H3

InChI Key

SFZLAIOIVCOPBG-UHFFFAOYSA-N

Smiles

CCCSc1c(Cl)c(Cl)nc(Cl)c1Cl

InChI

InChI=1S/C8H7Cl4NS/c1-2-3-14-6-4(9)7(11)13-8(12)5(6)10/h2-3H2,1H3

Property Name	Value
Molecular Formula	C8H7Cl4N1S1
Molecular Weight	288.91
AlogP	5.2
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	12.89
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C8H7Cl4N1S1

Molecular Weight

288.91

AlogP

5.2

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

12.89

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	19050-48-7
NORMAN SUSDAT
FDA SRS	36ZRM33AXY
PubChem	87918
ChemSpider	79318.0

Resources

Reference

CAS NUMBER

19050-48-7

NORMAN SUSDAT

FDA SRS

36ZRM33AXY

PubChem

87918

ChemSpider

79318.0

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

PYRIDINE, 2,3,5,6-TETRACHLORO-4-(PROPYLTHIO)-

Structure

Physicochemical Descriptors

Cross References