EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	R77Q4O5ZMD
EPA CompTox	DTXSID4046286

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

R77Q4O5ZMD

EPA CompTox

DTXSID4046286


InChI Key	SVYBEBLNQGDRHF-UHFFFAOYSA-N
Smiles	CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
InChI	InChI=1S/C10H12N4O2S2/c1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-7(11)4-6-8/h3-6H,2,11H2,1H3,(H,13,14)

InChI Key

SVYBEBLNQGDRHF-UHFFFAOYSA-N

Smiles

CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1

InChI

InChI=1S/C10H12N4O2S2/c1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-7(11)4-6-8/h3-6H,2,11H2,1H3,(H,13,14)

Property Name	Value
Molecular Formula	C10H12N4O2S2
Molecular Weight	284.04
AlogP	1.48
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	97.97
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C10H12N4O2S2

Molecular Weight

284.04

AlogP

1.48

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

97.97

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	94-19-9
NORMAN SUSDAT
FDA SRS	R77Q4O5ZMD
PubChem	7181
ChemSpider	6913.0

Resources

Reference

CAS NUMBER

94-19-9

NORMAN SUSDAT

FDA SRS

R77Q4O5ZMD

PubChem

7181

ChemSpider

6913.0

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

SULFAETHIDOLE

Structure

Physicochemical Descriptors

Cross References