EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	T6L7YU9JEP
EPA CompTox	DTXSID20146934

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

T6L7YU9JEP

EPA CompTox

DTXSID20146934


InChI Key	INFPIPCTRVDPJG-UHFFFAOYSA-N
Smiles	ClC(=S)Oc1ccc2ccccc2c1
InChI	InChI=1S/C11H7ClOS/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H

InChI Key

INFPIPCTRVDPJG-UHFFFAOYSA-N

Smiles

ClC(=S)Oc1ccc2ccccc2c1

InChI

InChI=1S/C11H7ClOS/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H

Property Name	Value
Molecular Formula	C11H7Cl1O1S1
Molecular Weight	221.99
AlogP	3.74
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	9.23
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C11H7Cl1O1S1

Molecular Weight

221.99

AlogP

3.74

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

9.23

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	10506-37-3
NORMAN SUSDAT
FDA SRS	T6L7YU9JEP
PubChem	82681
ChemSpider	74614.0

Resources

Reference

CAS NUMBER

10506-37-3

NORMAN SUSDAT

FDA SRS

T6L7YU9JEP

PubChem

82681

ChemSpider

74614.0

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

O-2-NAPHTHYL CHLOROTHIOFORMATE

Structure

Physicochemical Descriptors

Cross References