EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	284G15B4P4
EPA CompTox	DTXSID80169184

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

284G15B4P4

EPA CompTox

DTXSID80169184


InChI Key	POXAIQSXNOEQGM-UHFFFAOYSA-N
Smiles	CC(C)NC(=S)N
InChI	InChI=1S/C4H10N2S/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)

InChI Key

POXAIQSXNOEQGM-UHFFFAOYSA-N

Smiles

CC(C)NC(=S)N

InChI

InChI=1S/C4H10N2S/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)

Property Name	Value
Molecular Formula	C4H10N2S1
Molecular Weight	118.06
AlogP	0.85
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	35.88
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C4H10N2S1

Molecular Weight

118.06

AlogP

0.85

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

35.88

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	1719-76-2
NORMAN SUSDAT
FDA SRS	284G15B4P4
PubChem	1711921
ChemSpider	1361452.0

Resources

Reference

CAS NUMBER

1719-76-2

NORMAN SUSDAT

FDA SRS

284G15B4P4

PubChem

1711921

ChemSpider

1361452.0

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

UREA, 1-ISOPROPYL-2-THIO-

Structure

Physicochemical Descriptors

Cross References