EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	JEB142T7DS
EPA CompTox	DTXSID7063847

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

JEB142T7DS

EPA CompTox

DTXSID7063847


InChI Key	CUKQFZDGLCFERQ-UHFFFAOYSA-N
Smiles	CCCCN1CCNC1=S
InChI	InChI=1S/C7H14N2S/c1-2-3-5-9-6-4-8-7(9)10/h2-6H2,1H3,(H,8,10)

InChI Key

CUKQFZDGLCFERQ-UHFFFAOYSA-N

Smiles

CCCCN1CCNC1=S

InChI

InChI=1S/C7H14N2S/c1-2-3-5-9-6-4-8-7(9)10/h2-6H2,1H3,(H,8,10)

Property Name	Value
Molecular Formula	C7H14N2S1
Molecular Weight	158.09
AlogP	1.39
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	15.6
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C7H14N2S1

Molecular Weight

158.09

AlogP

1.39

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

15.6

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	5410-16-2
NORMAN SUSDAT
FDA SRS	JEB142T7DS
PubChem	3034160
ChemSpider	2298668.0

Resources

Reference

CAS NUMBER

5410-16-2

NORMAN SUSDAT

FDA SRS

JEB142T7DS

PubChem

3034160

ChemSpider

2298668.0

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...

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Last update: Monday, 3 November 2025

2-IMIDAZOLIDINETHIONE, 1-BUTYL-

Structure

Physicochemical Descriptors

Cross References