EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	QF2EBE93VH
EPA CompTox	DTXSID20219475

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

QF2EBE93VH

EPA CompTox

DTXSID20219475


InChI Key	IIGQLQZSWDUOBI-UHFFFAOYSA-N
Smiles	CN(N)C(=S)N
InChI	InChI=1S/C2H7N3S/c1-5(4)2(3)6/h4H2,1H3,(H2,3,6)

InChI Key

IIGQLQZSWDUOBI-UHFFFAOYSA-N

Smiles

CN(N)C(=S)N

InChI

InChI=1S/C2H7N3S/c1-5(4)2(3)6/h4H2,1H3,(H2,3,6)

Property Name	Value
Molecular Formula	C2H7N3S1
Molecular Weight	105.04
AlogP	-0.34
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	3.0
Polar Surface Area	53.11
Heavy Atoms	6.0

Property Name

Value

Molecular Formula

C2H7N3S1

Molecular Weight

105.04

AlogP

-0.34

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

3.0

Polar Surface Area

53.11

Heavy Atoms

6.0

Resources	Reference
CAS NUMBER	6938-68-7
NORMAN SUSDAT
FDA SRS	QF2EBE93VH
PubChem	3034190
ChemSpider	2298697.0

Resources

Reference

CAS NUMBER

6938-68-7

NORMAN SUSDAT

FDA SRS

QF2EBE93VH

PubChem

3034190

ChemSpider

2298697.0

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

2-METHYL-3-THIOSEMICARBAZIDE

Structure

Physicochemical Descriptors

Cross References