EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	NTT32BV42Q
EPA CompTox	DTXSID30973218

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

NTT32BV42Q

EPA CompTox

DTXSID30973218


InChI Key	XUGBJJNOIWRRPH-UHFFFAOYSA-N
Smiles	SC(C)CC[Si](OCC)(OCC)OCC
InChI	InChI=1/C10H24O3SSi/c1-5-11-15(12-6-2,13-7-3)9-8-10(4)14/h10,14H,5-9H2,1-4H3

InChI Key

XUGBJJNOIWRRPH-UHFFFAOYSA-N

Smiles

SC(C)CC[Si](OCC)(OCC)OCC

InChI

InChI=1/C10H24O3SSi/c1-5-11-15(12-6-2,13-7-3)9-8-10(4)14/h10,14H,5-9H2,1-4H3

Property Name	Value
Molecular Formula	C10H24O3SSi
Molecular Weight	252.12
AlogP	2.74
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	9.0
Polar Surface Area	27.69
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C10H24O3SSi

Molecular Weight

252.12

AlogP

2.74

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

9.0

Polar Surface Area

27.69

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	57640-10-5
NORMAN SUSDAT
FDA SRS	NTT32BV42Q
PubChem	93746

Resources

Reference

CAS NUMBER

57640-10-5

NORMAN SUSDAT

FDA SRS

NTT32BV42Q

PubChem

93746

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

4-(TRIETHOXYSILYL)BUTANE-2-THIOL

Structure

Physicochemical Descriptors

Cross References