EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Free-form
UNII	XG7P2FP9J7
EPA CompTox	DTXSID90885348

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Free-form

UNII

XG7P2FP9J7

EPA CompTox

DTXSID90885348


InChI Key	PXOXRZMEQDUGIL-UHFFFAOYSA-M
Smiles	O=[Sn](S)CCCC
InChI	InChI=1/C4H9.O.H2S.Sn/c1-3-4-2;;;/h1,3-4H2,2H3;;1H2;/q;;;+1/p-1/rC4H10OSSn/c1-2-3-4-7(5)6/h6H,2-4H2,1H3

InChI Key

PXOXRZMEQDUGIL-UHFFFAOYSA-M

Smiles

O=[Sn](S)CCCC

InChI

InChI=1/C4H9.O.H2S.Sn/c1-3-4-2;;;/h1,3-4H2,2H3;;1H2;/q;;;+1/p-1/rC4H10OSSn/c1-2-3-4-7(5)6/h6H,2-4H2,1H3

Property Name	Value
Molecular Formula	C4H10OSSn
Molecular Weight	225.95
AlogP	1.64
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	17.07
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C4H10OSSn

Molecular Weight

225.95

AlogP

1.64

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

17.07

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	26410-42-4
NORMAN SUSDAT
FDA SRS	XG7P2FP9J7

Resources

Reference

CAS NUMBER

26410-42-4

NORMAN SUSDAT

FDA SRS

XG7P2FP9J7

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

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Structure

Physicochemical Descriptors

Cross References