EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	J6T67A1P72
EPA CompTox	DTXSID5026126

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

J6T67A1P72

EPA CompTox

DTXSID5026126


InChI Key	MNOILHPDHOHILI-UHFFFAOYSA-N
Smiles	CN(C)C(=S)N(C)C
InChI	InChI=1S/C5H12N2S/c1-6(2)5(8)7(3)4/h1-4H3

InChI Key

MNOILHPDHOHILI-UHFFFAOYSA-N

Smiles

CN(C)C(=S)N(C)C

InChI

InChI=1S/C5H12N2S/c1-6(2)5(8)7(3)4/h1-4H3

Property Name	Value
Molecular Formula	C5H12N2S1
Molecular Weight	132.07
AlogP	0.39
Hydrogen Bond Acceptor	1.0
Polar Surface Area	6.48
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C5H12N2S1

Molecular Weight

132.07

AlogP

0.39

Hydrogen Bond Acceptor

1.0

Polar Surface Area

6.48

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	2782-91-4
NORMAN SUSDAT
FDA SRS	J6T67A1P72
PubChem	17725
ChemSpider	16753.0

Resources

Reference

CAS NUMBER

2782-91-4

NORMAN SUSDAT

FDA SRS

J6T67A1P72

PubChem

17725

ChemSpider

16753.0

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

1,1,3,3-TETRAMETHYL-2-THIOUREA

Structure

Physicochemical Descriptors

Cross References