EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	T5UQ3VB23W
EPA CompTox	DTXSID70205984

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

T5UQ3VB23W

EPA CompTox

DTXSID70205984


InChI Key	PKDDCIXNDZLQGW-UHFFFAOYSA-N
Smiles	CS(=O)(=O)c1ccc(NN)c(c1)S(=O)(=O)C
InChI	InChI=1S/C8H12N2O4S2/c1-15(11,12)6-3-4-7(10-9)8(5-6)16(2,13)14/h3-5,10H,9H2,1-2H3

InChI Key

PKDDCIXNDZLQGW-UHFFFAOYSA-N

Smiles

CS(=O)(=O)c1ccc(NN)c(c1)S(=O)(=O)C

InChI

InChI=1S/C8H12N2O4S2/c1-15(11,12)6-3-4-7(10-9)8(5-6)16(2,13)14/h3-5,10H,9H2,1-2H3

Property Name	Value
Molecular Formula	C8H12N2O4S2
Molecular Weight	264.02
AlogP	-0.22
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	106.33
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C8H12N2O4S2

Molecular Weight

264.02

AlogP

-0.22

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

106.33

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	57396-91-5
NORMAN SUSDAT
FDA SRS	T5UQ3VB23W
PubChem	93659
ChemSpider	84543.0

Resources

Reference

CAS NUMBER

57396-91-5

NORMAN SUSDAT

FDA SRS

T5UQ3VB23W

PubChem

93659

ChemSpider

84543.0

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

2,4-BIS(METHYLSULPHONYL)PHENYLHYDRAZINE

Structure

Physicochemical Descriptors

Cross References