EcoDrugPlus


Keyword(s):	Drinking Water Chemicals
Molecule Category	Salt-form
EPA CompTox	DTXSID3027906

Keyword(s):

Drinking Water Chemicals

Molecule Category

Salt-form

EPA CompTox

DTXSID3027906


InChI Key	FHIAIHDDIOVFSY-UHFFFAOYSA-L
Smiles	[Zn+2].CCCCC(CC)COP(=S)([S-])OCC(C)C.CCCCC(CC)COP(=S)([S-])OCC(C)C
InChI	InChI=1/2C12H27O2PS2.Zn/c21-5-7-8-12(6-2)10-14-15(16,17)13-9-11(3)4;/h211-12H,5-10H2,1-4H3,(H,16,17);/q;;+2/p-2

InChI Key

FHIAIHDDIOVFSY-UHFFFAOYSA-L

Smiles

[Zn+2].CCCCC(CC)COP(=S)([S-])OCC(C)C.CCCCC(CC)COP(=S)([S-])OCC(C)C

InChI

InChI=1/2C12H27O2PS2.Zn/c2*1-5-7-8-12(6-2)10-14-15(16,17)13-9-11(3)4;/h2*11-12H,5-10H2,1-4H3,(H,16,17);/q;;+2/p-2

Property Name	Value
Molecular Formula	C24H52O4P2S4Zn
Molecular Weight	658.15
AlogP	9.32
Hydrogen Bond Acceptor	8.0
Number of Rotational Bond	20.0
Polar Surface Area	36.92
Heavy Atoms	35.0

Property Name

Value

Molecular Formula

C24H52O4P2S4Zn

Molecular Weight

658.15

AlogP

9.32

Hydrogen Bond Acceptor

8.0

Number of Rotational Bond

20.0

Polar Surface Area

36.92

Heavy Atoms

35.0

Resources	Reference
CAS NUMBER	26566-95-0
NORMAN SUSDAT

Resources

Reference

CAS NUMBER

26566-95-0

NORMAN SUSDAT

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

ZINC, BIS[O-(2-ETHYLHEXYL) O-(2-METHYLPROPYL) PHOSPHORODITHIOATO-.KAPPA.S,.KAPPA.S']-, (T-4)-

Structure

Physicochemical Descriptors

Cross References