EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	YIY0662KX9

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

YIY0662KX9


InChI Key	BYZJBHCTZJGJFV-UHFFFAOYSA-N
Smiles	C[S](=O)(=O)OCCNCC(O)C(O)CNCCO[S](C)(=O)=O
InChI	InChI=1S/C10H24N2O8S2/c1-21(15,16)19-5-3-11-7-9(13)10(14)8-12-4-6-20-22(2,17)18/h9-14H,3-8H2,1-2H3

InChI Key

BYZJBHCTZJGJFV-UHFFFAOYSA-N

Smiles

C[S](=O)(=O)OCCNCC(O)C(O)CNCCO[S](C)(=O)=O

InChI

InChI=1S/C10H24N2O8S2/c1-21(15,16)19-5-3-11-7-9(13)10(14)8-12-4-6-20-22(2,17)18/h9-14H,3-8H2,1-2H3

Property Name	Value
Molecular Formula	C10H24N2O8S2
Molecular Weight	364.1
AlogP	-3.16
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	13.0
Polar Surface Area	151.26
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C10H24N2O8S2

Molecular Weight

364.1

AlogP

-3.16

Hydrogen Bond Acceptor

10.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

13.0

Polar Surface Area

151.26

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	4148-16-7
NORMAN SUSDAT
FDA SRS	YIY0662KX9

Resources

Reference

CAS NUMBER

4148-16-7

NORMAN SUSDAT

FDA SRS

YIY0662KX9

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

RITROSULFAN

Structure

Physicochemical Descriptors

Cross References