EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID90881906

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID90881906


InChI Key	ROKKEEDUUQVHFZ-UHFFFAOYSA-N
Smiles	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)CCS
InChI	InChI=1S/C10H7F15S/c11-4(12,1-2-26)7(17,18)5(13,14)3-6(15,16)8(19,20)9(21,22)10(23,24)25/h26H,1-3H2

InChI Key

ROKKEEDUUQVHFZ-UHFFFAOYSA-N

Smiles

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)CCS

InChI

InChI=1S/C10H7F15S/c11-4(12,1-2-26)7(17,18)5(13,14)3-6(15,16)8(19,20)9(21,22)10(23,24)25/h26H,1-3H2

Property Name	Value
Molecular Formula	C10H7F15S1
Molecular Weight	444.0
AlogP	6.07
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	8.0
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C10H7F15S1

Molecular Weight

444.0

AlogP

6.07

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

8.0

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	68140-21-6
NORMAN SUSDAT
PubChem	109608
ChemSpider	98515.0

Resources

Reference

CAS NUMBER

68140-21-6

NORMAN SUSDAT

PubChem

109608

ChemSpider

98515.0

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

THIOLS, C10-20, .GAMMA.-.OMEGA.-PERFLUORO (PERFLUOROALKYL(C8-18)ETHYL MERCAPTAN)

Structure

Physicochemical Descriptors

Cross References