EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	XUU985ZMA2
EPA CompTox	DTXSID20164810

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

XUU985ZMA2

EPA CompTox

DTXSID20164810


InChI Key	HXCHZMHFZXNFIX-UHFFFAOYSA-N
Smiles	COc1c(NC(=S)N)cccc1
InChI	InChI=1S/C8H10N2OS/c1-11-7-5-3-2-4-6(7)10-8(9)12/h2-5H,1H3,(H3,9,10,12)

InChI Key

HXCHZMHFZXNFIX-UHFFFAOYSA-N

Smiles

COc1c(NC(=S)N)cccc1

InChI

InChI=1S/C8H10N2OS/c1-11-7-5-3-2-4-6(7)10-8(9)12/h2-5H,1H3,(H3,9,10,12)

Property Name	Value
Molecular Formula	C8H10N2O1S1
Molecular Weight	182.05
AlogP	1.97
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	45.11
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C8H10N2O1S1

Molecular Weight

182.05

AlogP

1.97

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

45.11

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	1516-37-6
NORMAN SUSDAT
FDA SRS	XUU985ZMA2
PubChem	722774
ChemSpider	630947.0

Resources

Reference

CAS NUMBER

1516-37-6

NORMAN SUSDAT

FDA SRS

XUU985ZMA2

PubChem

722774

ChemSpider

630947.0

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-(O-METHOXYPHENYL)-2-THIO-

Structure

Physicochemical Descriptors

Cross References