EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Free-form
EPA CompTox	DTXSID40470687

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Free-form

EPA CompTox

DTXSID40470687


InChI Key	UUNRYKCXJSDLRD-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCSC(=S)SSC(=S)SCCCCCCCCCCCC
InChI	InChI=1S/C26H50S6/c1-3-5-7-9-11-13-15-17-19-21-23-29-25(27)31-32-26(28)30-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3

InChI Key

UUNRYKCXJSDLRD-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCSC(=S)SSC(=S)SCCCCCCCCCCCC

InChI

InChI=1S/C26H50S6/c1-3-5-7-9-11-13-15-17-19-21-23-29-25(27)31-32-26(28)30-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3

Property Name	Value
Molecular Formula	C26H50S6
Molecular Weight	554.22
AlogP	12.25
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	22.0
Heavy Atoms	32.0

Property Name

Value

Molecular Formula

C26H50S6

Molecular Weight

554.22

AlogP

12.25

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

22.0

Heavy Atoms

32.0

Resources	Reference
CAS NUMBER	870532-86-8
NORMAN SUSDAT

Resources

Reference

CAS NUMBER

870532-86-8

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

BIS(DODECYLSULFANYLTHIOCARBONYL) DISULFIDE

Structure

Physicochemical Descriptors

Cross References