EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID00989008

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID00989008


InChI Key	NFHVFZMZVQOWHO-UHFFFAOYSA-N
Smiles	O(CCC[Si](OC)(OC)OC)CC1SC1
InChI	InChI=1/C9H20O4SSi/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9/h9H,4-8H2,1-3H3

InChI Key

NFHVFZMZVQOWHO-UHFFFAOYSA-N

Smiles

O(CCC[Si](OC)(OC)OC)CC1SC1

InChI

InChI=1/C9H20O4SSi/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9/h9H,4-8H2,1-3H3

Property Name	Value
Molecular Formula	C9H20O4SSi
Molecular Weight	252.09
AlogP	1.39
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	9.0
Polar Surface Area	36.92
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C9H20O4SSi

Molecular Weight

252.09

AlogP

1.39

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

9.0

Polar Surface Area

36.92

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	69284-78-2
NORMAN SUSDAT
PubChem	3045260

Resources

Reference

CAS NUMBER

69284-78-2

NORMAN SUSDAT

PubChem

3045260

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

TRIMETHOXY[3-(THIIRANYLMETHOXY)PROPYL]SILANE

Structure

Physicochemical Descriptors

Cross References