EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
EPA CompTox	DTXSID801245308

Keyword(s):

Natural Toxins

Molecule Category

Free-form

EPA CompTox

DTXSID801245308


InChI Key	MMTFXWIIILIGFN-GQCTYLIASA-N
Smiles	C/C=C/S(=O)SCC=C
InChI	InChI=1/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4,6H,1,5H2,2H3/b6-4+

InChI Key

MMTFXWIIILIGFN-GQCTYLIASA-N

Smiles

C/C=C/S(=O)SCC=C

InChI

InChI=1/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4,6H,1,5H2,2H3/b6-4+

Property Name	Value
Molecular Formula	C6H10OS2
Molecular Weight	162.02
AlogP	2.1
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	17.07
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C6H10OS2

Molecular Weight

162.02

AlogP

2.1

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

17.07

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	134595-70-3
NORMAN SUSDAT
PubChem	58219317
ChemSpider	35013482.0

Resources

Reference

CAS NUMBER

134595-70-3

NORMAN SUSDAT

PubChem

58219317

ChemSpider

35013482.0

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

S-2-PROPEN-1-YL (1E)-1-PROPENE-1-SULFINOTHIOATE

Structure

Physicochemical Descriptors

Cross References