BIS(DODECYLTHIO)DIOCTYLSTANNANE


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Free-form
EPA CompTox	DTXSID0051867

Structure


InChI Key	ZLQKLRJBHMDQPD-UHFFFAOYSA-L
Smiles	S(CCCCCCCCCCCC)[Sn](SCCCCCCCCCCCC)(CCCCCCCC)CCCCCCCC
InChI	InChI=1/2C12H26S.2C8H17.Sn/c21-2-3-4-5-6-7-8-9-10-11-12-13;21-3-5-7-8-6-4-2;/h213H,2-12H2,1H3;21,3-8H2,2H3;/q;;;;+2/p-2/rC40H84S2Sn/c1-5-9-13-17-21-23-25-27-29-33-37-41-43(39-35-31-19-15-11-7-3,40-36-32-20-16-12-8-4)42-38-34-30-28-26-24-22-18-14-10-6-2/h5-40H2,1-4H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C40H84S2Sn
Molecular Weight	748.5
AlogP	16.46
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	38.0
Heavy Atoms	43.0

Cross References

Resources	Reference
CAS NUMBER	22205-30-7
NORMAN SUSDAT

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).