EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9LN2D4YF1E
EPA CompTox	DTXSID6067121

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9LN2D4YF1E

EPA CompTox

DTXSID6067121


InChI Key	VWRHSNKTSSIMGE-UHFFFAOYSA-N
Smiles	CCSc1nnc(N)s1
InChI	InChI=1S/C4H7N3S2/c1-2-8-4-7-6-3(5)9-4/h2H2,1H3,(H2,5,6)

InChI Key

VWRHSNKTSSIMGE-UHFFFAOYSA-N

Smiles

CCSc1nnc(N)s1

InChI

InChI=1S/C4H7N3S2/c1-2-8-4-7-6-3(5)9-4/h2H2,1H3,(H2,5,6)

Property Name	Value
Molecular Formula	C4H7N3S2
Molecular Weight	161.01
AlogP	1.06
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	52.53
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C4H7N3S2

Molecular Weight

161.01

AlogP

1.06

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

52.53

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	25660-70-2
NORMAN SUSDAT
FDA SRS	9LN2D4YF1E
PubChem	101459
ChemSpider	91679.0

Resources

Reference

CAS NUMBER

25660-70-2

NORMAN SUSDAT

FDA SRS

9LN2D4YF1E

PubChem

101459

ChemSpider

91679.0

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

1,3,4-THIADIAZOL-2-AMINE, 5-(ETHYLTHIO)-

Structure

Physicochemical Descriptors

Cross References