EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	VJY61TQ8W6
EPA CompTox	DTXSID50212550

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

VJY61TQ8W6

EPA CompTox

DTXSID50212550


InChI Key	BZYUMXXOAYSFOW-UHFFFAOYSA-N
Smiles	Cc1c(C)ccs1
InChI	InChI=1S/C6H8S/c1-5-3-4-7-6(5)2/h3-4H,1-2H3

InChI Key

BZYUMXXOAYSFOW-UHFFFAOYSA-N

Smiles

Cc1c(C)ccs1

InChI

InChI=1S/C6H8S/c1-5-3-4-7-6(5)2/h3-4H,1-2H3

Property Name	Value
Molecular Formula	C6H8S1
Molecular Weight	112.03
AlogP	2.36
Hydrogen Bond Acceptor	1.0
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C6H8S1

Molecular Weight

112.03

AlogP

2.36

Hydrogen Bond Acceptor

1.0

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	632-16-6
NORMAN SUSDAT
FDA SRS	VJY61TQ8W6
PubChem	34295
ChemSpider	31595.0

Resources

Reference

CAS NUMBER

632-16-6

NORMAN SUSDAT

FDA SRS

VJY61TQ8W6

PubChem

34295

ChemSpider

31595.0

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

2,3-DIMETHYLTHIOPHENE

Structure

Physicochemical Descriptors

Cross References