EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6FM4U25NCB
EPA CompTox	DTXSID40212867

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6FM4U25NCB

EPA CompTox

DTXSID40212867


InChI Key	JYGAGLPBYNQOEE-UHFFFAOYSA-N
Smiles	ClC(Cl)(Cl)C(c1cccs1)c1cccs1
InChI	InChI=1S/C10H7Cl3S2/c11-10(12,13)9(7-3-1-5-14-7)8-4-2-6-15-8/h1-6,9H

InChI Key

JYGAGLPBYNQOEE-UHFFFAOYSA-N

Smiles

ClC(Cl)(Cl)C(c1cccs1)c1cccs1

InChI

InChI=1S/C10H7Cl3S2/c11-10(12,13)9(7-3-1-5-14-7)8-4-2-6-15-8/h1-6,9H

Property Name	Value
Molecular Formula	C10H7Cl3S2
Molecular Weight	295.91
AlogP	5.31
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C10H7Cl3S2

Molecular Weight

295.91

AlogP

5.31

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	6345-58-0
NORMAN SUSDAT
FDA SRS	6FM4U25NCB
PubChem	80669
ChemSpider	72854.0

Resources

Reference

CAS NUMBER

6345-58-0

NORMAN SUSDAT

FDA SRS

6FM4U25NCB

PubChem

80669

ChemSpider

72854.0

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

2,2'-(2,2,2-TRICHLOROETHYLIDENE)DITHIOPHENE

Structure

Physicochemical Descriptors

Cross References