EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	2C73E0Y7SZ
EPA CompTox	DTXSID1051301

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

2C73E0Y7SZ

EPA CompTox

DTXSID1051301


InChI Key	YPTZEQATJVXHMX-UHFFFAOYSA-N
Smiles	CCCCS(=O)(=O)SCSS(=O)(=O)CCCC
InChI	InChI=1S/C9H20O4S4/c1-3-5-7-16(10,11)14-9-15-17(12,13)8-6-4-2/h3-9H2,1-2H3

InChI Key

YPTZEQATJVXHMX-UHFFFAOYSA-N

Smiles

CCCCS(=O)(=O)SCSS(=O)(=O)CCCC

InChI

InChI=1S/C9H20O4S4/c1-3-5-7-16(10,11)14-9-15-17(12,13)8-6-4-2/h3-9H2,1-2H3

Property Name	Value
Molecular Formula	C9H20O4S4
Molecular Weight	320.02
AlogP	2.67
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	10.0
Polar Surface Area	68.28
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C9H20O4S4

Molecular Weight

320.02

AlogP

2.67

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

10.0

Polar Surface Area

68.28

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	16008-32-5
NORMAN SUSDAT
FDA SRS	2C73E0Y7SZ
PubChem	71586999

Resources

Reference

CAS NUMBER

16008-32-5

NORMAN SUSDAT

FDA SRS

2C73E0Y7SZ

PubChem

71586999

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...

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Last update: Monday, 3 November 2025

METHYLENEBISBUTANETHIOLSULFONATE

Structure

Physicochemical Descriptors

Cross References