EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	V6DDX6WB12
EPA CompTox	DTXSID2074295

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

V6DDX6WB12

EPA CompTox

DTXSID2074295


InChI Key	GWQOOADXMVQEFT-UHFFFAOYSA-N
Smiles	Cc1ccc(C)s1
InChI	InChI=1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3

InChI Key

GWQOOADXMVQEFT-UHFFFAOYSA-N

Smiles

Cc1ccc(C)s1

InChI

InChI=1S/C6H8S/c1-5-3-4-6(2)7-5/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	638-02-8
NORMAN SUSDAT
FDA SRS	V6DDX6WB12
PubChem	12514
ChemSpider	11998.0

Resources

Reference

CAS NUMBER

638-02-8

NORMAN SUSDAT

FDA SRS

V6DDX6WB12

PubChem

12514

ChemSpider

11998.0

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...

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Last update: Monday, 3 November 2025

2,5-DIMETHYLTHIOPHENE

Structure

Physicochemical Descriptors

Cross References