EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	TT768EVS2A
EPA CompTox	DTXSID8037540

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

TT768EVS2A

EPA CompTox

DTXSID8037540


InChI Key	RDYMFSUJUZBWLH-BRZMKDEISA-N
Smiles	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3COS(=O)OC[C@@H]3[C@@]1(Cl)C2(Cl)Cl
InChI	InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8-,19?/m0/s1

InChI Key

RDYMFSUJUZBWLH-BRZMKDEISA-N

Smiles

ClC1=C(Cl)[C@@]2(Cl)[C@@H]3COS(=O)OC[C@@H]3[C@@]1(Cl)C2(Cl)Cl

InChI

InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8-,19?/m0/s1

Property Name	Value
Molecular Formula	C9H6Cl6O3S
Molecular Weight	403.82
AlogP	3.69
Hydrogen Bond Acceptor	3.0
Polar Surface Area	35.53
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C9H6Cl6O3S

Molecular Weight

403.82

AlogP

3.69

Hydrogen Bond Acceptor

3.0

Polar Surface Area

35.53

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	33213-65-9
NORMAN SUSDAT
FDA SRS	TT768EVS2A
ChemSpider	16736499.0

Resources

Reference

CAS NUMBER

33213-65-9

NORMAN SUSDAT

FDA SRS

TT768EVS2A

ChemSpider

16736499.0

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

ENDOSULFAN II

Structure

Physicochemical Descriptors

Cross References