EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	W7Z523AN4D
EPA CompTox	DTXSID1063518

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

W7Z523AN4D

EPA CompTox

DTXSID1063518


InChI Key	LDVAXRWOGUHMKM-UHFFFAOYSA-N
Smiles	NNS(=O)(=O)c1cc(ccc1)S(=O)(=O)NN
InChI	InChI=1S/C6H10N4O4S2/c7-9-15(11,12)5-2-1-3-6(4-5)16(13,14)10-8/h1-4,9-10H,7-8H2

InChI Key

LDVAXRWOGUHMKM-UHFFFAOYSA-N

Smiles

NNS(=O)(=O)c1cc(ccc1)S(=O)(=O)NN

InChI

InChI=1S/C6H10N4O4S2/c7-9-15(11,12)5-2-1-3-6(4-5)16(13,14)10-8/h1-4,9-10H,7-8H2

Property Name	Value
Molecular Formula	C6H10N4O4S2
Molecular Weight	266.01
AlogP	-2.01
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	144.38
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C6H10N4O4S2

Molecular Weight

266.01

AlogP

-2.01

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

144.38

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	4547-70-0
NORMAN SUSDAT
FDA SRS	W7Z523AN4D
PubChem	78306
ChemSpider	70678.0

Resources

Reference

CAS NUMBER

4547-70-0

NORMAN SUSDAT

FDA SRS

W7Z523AN4D

PubChem

78306

ChemSpider

70678.0

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

1,3-BENZENEDISULFONIC ACID, 1,3-DIHYDRAZIDE

Structure

Physicochemical Descriptors

Cross References