EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	HD73V434V5
EPA CompTox	DTXSID10236752

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

HD73V434V5

EPA CompTox

DTXSID10236752


InChI Key	QGLYTNIXHPCRCF-UHFFFAOYSA-N
Smiles	CCOc1ccc(NC(=S)N)cc1
InChI	InChI=1S/C9H12N2OS/c1-2-12-8-5-3-7(4-6-8)11-9(10)13/h3-6H,2H2,1H3,(H3,10,11,13)

InChI Key

QGLYTNIXHPCRCF-UHFFFAOYSA-N

Smiles

CCOc1ccc(NC(=S)N)cc1

InChI

InChI=1S/C9H12N2OS/c1-2-12-8-5-3-7(4-6-8)11-9(10)13/h3-6H,2H2,1H3,(H3,10,11,13)

Property Name	Value
Molecular Formula	C9H12N2O1S1
Molecular Weight	196.07
AlogP	2.36
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	45.11
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C9H12N2O1S1

Molecular Weight

196.07

AlogP

2.36

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

3.0

Polar Surface Area

45.11

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	880-29-5
NORMAN SUSDAT
FDA SRS	HD73V434V5
PubChem	853569
ChemSpider	745971.0

Resources

Reference

CAS NUMBER

880-29-5

NORMAN SUSDAT

FDA SRS

HD73V434V5

PubChem

853569

ChemSpider

745971.0

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

UREA, 1-(P-ETHOXYPHENYL)-2-THIO-

Structure

Physicochemical Descriptors

Cross References