EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID601015137

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID601015137


InChI Key	SQPBZCDQRJYQKD-UHFFFAOYSA-H
Smiles	F[Sb-](F)(F)(F)(F)F.S(C1=CC=CC=C1)C1=CC=C(C=C1)[S+](C1=CC=CC=C1)C1=CC=CC=C1
InChI	InChI=1S/C24H19S2.6FH.Sb/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;;;;;;;/h1-19H;6*1H;/q+1;;;;;;;+5/p-6

InChI Key

SQPBZCDQRJYQKD-UHFFFAOYSA-H

Smiles

F[Sb-](F)(F)(F)(F)F.S(C1=CC=CC=C1)C1=CC=C(C=C1)[S+](C1=CC=CC=C1)C1=CC=CC=C1

InChI

InChI=1S/C24H19S2.6FH.Sb/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;;;;;;;/h1-19H;6*1H;/q+1;;;;;;;+5/p-6

Property Name	Value
Molecular Formula	C24H19F6S2Sb
Molecular Weight	605.99
AlogP	-11.42
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	5.0
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C24H19F6S2Sb

Molecular Weight

605.99

AlogP

-11.42

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

5.0

Heavy Atoms

33.0

Resources	Reference
CAS NUMBER	71449-78-0
NORMAN SUSDAT
PubChem	16688304

Resources

Reference

CAS NUMBER

71449-78-0

NORMAN SUSDAT

PubChem

16688304

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

4-THIOPHENYL DIPHENYL SULFONIUM HEXAFLUOROANTIMONATE

Structure

Physicochemical Descriptors

Cross References