EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID3065877

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID3065877


InChI Key	VKFXRBZSVGYYSA-UHFFFAOYSA-N
Smiles	CCNC(=S)N(C)C
InChI	InChI=1S/C5H12N2S/c1-4-6-5(8)7(2)3/h4H2,1-3H3,(H,6,8)

InChI Key

VKFXRBZSVGYYSA-UHFFFAOYSA-N

Smiles

CCNC(=S)N(C)C

InChI

InChI=1S/C5H12N2S/c1-4-6-5(8)7(2)3/h4H2,1-3H3,(H,6,8)

Property Name	Value
Molecular Formula	C5H12N2S1
Molecular Weight	132.07
AlogP	0.85
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	15.6
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C5H12N2S1

Molecular Weight

132.07

AlogP

0.85

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

15.6

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	15361-86-1
NORMAN SUSDAT
PubChem	3034261
ChemSpider	2298755.0

Resources

Reference

CAS NUMBER

15361-86-1

NORMAN SUSDAT

PubChem

3034261

ChemSpider

2298755.0

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

THIOUREA, N'-ETHYL-N,N-DIMETHYL-

Structure

Physicochemical Descriptors

Cross References