EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID9072864

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID9072864


InChI Key	IHBDUARGLPMOND-UHFFFAOYSA-N
Smiles	O=S(=O)(Cl)C1=CC=C(C=C1)CC[Si](Cl)(Cl)Cl
InChI	InChI=1/C8H8Cl4O2SSi/c9-15(13,14)8-3-1-7(2-4-8)5-6-16(10,11)12/h1-4H,5-6H2

InChI Key

IHBDUARGLPMOND-UHFFFAOYSA-N

Smiles

O=S(=O)(Cl)C1=CC=C(C=C1)CC[Si](Cl)(Cl)Cl

InChI

InChI=1/C8H8Cl4O2SSi/c9-15(13,14)8-3-1-7(2-4-8)5-6-16(10,11)12/h1-4H,5-6H2

Property Name	Value
Molecular Formula	C8H8Cl4O2SSi
Molecular Weight	335.88
AlogP	3.81
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	34.14
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C8H8Cl4O2SSi

Molecular Weight

335.88

AlogP

3.81

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

34.14

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	79793-00-3
NORMAN SUSDAT
PubChem	174186

Resources

Reference

CAS NUMBER

79793-00-3

NORMAN SUSDAT

PubChem

174186

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...

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Last update: Monday, 3 November 2025

P-[2-(TRICHLOROSILYL)ETHYL]BENZENESULPHONYL CHLORIDE

Structure

Physicochemical Descriptors

Cross References