EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	3C2DBP7YQP
EPA CompTox	DTXSID20188192

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

3C2DBP7YQP

EPA CompTox

DTXSID20188192


InChI Key	GGNRRWRAKZQSKG-UHFFFAOYSA-N
Smiles	CN(C)C(=S)N=C(N(C)C)N(C)C
InChI	InChI=1S/C8H18N4S/c1-10(2)7(11(3)4)9-8(13)12(5)6/h1-6H3

InChI Key

GGNRRWRAKZQSKG-UHFFFAOYSA-N

Smiles

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

InChI

InChI=1S/C8H18N4S/c1-10(2)7(11(3)4)9-8(13)12(5)6/h1-6H3

Property Name	Value
Molecular Formula	C8H18N4S1
Molecular Weight	202.13
AlogP	0.31
Hydrogen Bond Acceptor	1.0
Polar Surface Area	22.08
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C8H18N4S1

Molecular Weight

202.13

AlogP

0.31

Hydrogen Bond Acceptor

1.0

Polar Surface Area

22.08

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	34619-07-3
NORMAN SUSDAT
FDA SRS	3C2DBP7YQP
PubChem	3015694
ChemSpider	2283782.0

Resources

Reference

CAS NUMBER

34619-07-3

NORMAN SUSDAT

FDA SRS

3C2DBP7YQP

PubChem

3015694

ChemSpider

2283782.0

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

(BIS(DIMETHYLAMINO)METHYLENE)DIMETHYLTHIOUREA

Structure

Physicochemical Descriptors

Cross References