EcoDrugPlus


Synonyms	Dimesna NSC-716976 NSC-760345
Status
Molecule Category	Mixture
UNII	230R951Y4D
EPA CompTox	DTXSID6066024

Synonyms

Dimesna

NSC-716976

NSC-760345

Status

Molecule Category

Mixture

UNII

230R951Y4D

EPA CompTox

DTXSID6066024


InChI Key	BYUKOOOZTSTOOH-UHFFFAOYSA-N
Smiles	O=S(=O)(O)CCSSCCS(=O)(=O)O
InChI	InChI=1S/C4H10O6S4/c5-13(6,7)3-1-11-12-2-4-14(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)

InChI Key

BYUKOOOZTSTOOH-UHFFFAOYSA-N

Smiles

O=S(=O)(O)CCSSCCS(=O)(=O)O

InChI

InChI=1S/C4H10O6S4/c5-13(6,7)3-1-11-12-2-4-14(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)

Property Name	Value
Molecular Formula	C4H10O6S4
Molecular Weight	282.39
AlogP	0.14
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	108.74
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C4H10O6S4

Molecular Weight

282.39

AlogP

0.14

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

7.0

Polar Surface Area

108.74

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

14.0

Resources	Reference
ChEMBL	CHEMBL2104318
FDA SRS	230R951Y4D
PubChem	65625
SureChEMBL	SCHEMBL18847
ChEMBL	CHEMBL2009034
FDA SRS	6Q2L2H0POF
PubChem	65625
SureChEMBL	SCHEMBL773704
ZINC	ZINC000003922156

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

ChEMBL

FDA SRS

PubChem

SureChEMBL

ZINC

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

DIMESNA

Structure

Physicochemical Descriptors

Cross References