EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	SGN5B4LDT6
EPA CompTox	DTXSID20184715

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

SGN5B4LDT6

EPA CompTox

DTXSID20184715


InChI Key	HUZASKHMPBJXJP-UHFFFAOYSA-N
Smiles	FC(F)(F)C1=NNC(=S)N1C
InChI	InChI=1/C4H4F3N3S/c1-10-2(4(5,6)7)8-9-3(10)11/h1H3,(H,9,11)

InChI Key

HUZASKHMPBJXJP-UHFFFAOYSA-N

Smiles

FC(F)(F)C1=NNC(=S)N1C

InChI

InChI=1/C4H4F3N3S/c1-10-2(4(5,6)7)8-9-3(10)11/h1H3,(H,9,11)

Property Name	Value
Molecular Formula	C4H4F3N3S
Molecular Weight	183.01
AlogP	1.12
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Polar Surface Area	30.71
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C4H4F3N3S

Molecular Weight

183.01

AlogP

1.12

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Polar Surface Area

30.71

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	30682-81-6
NORMAN SUSDAT
FDA SRS	SGN5B4LDT6

Resources

Reference

CAS NUMBER

30682-81-6

NORMAN SUSDAT

FDA SRS

SGN5B4LDT6

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

2,4-DIHYDRO-4-METHYL-5-(TRIFLUOROMETHYL)-3H-1,2,4-TRIAZOLE-3-THIONE

Structure

Physicochemical Descriptors

Cross References