EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8X56V0K20X
EPA CompTox	DTXSID1074466

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8X56V0K20X

EPA CompTox

DTXSID1074466


InChI Key	WCDSVWRUXWCYFN-UHFFFAOYSA-N
Smiles	Nc1ccc([S-])cc1
InChI	InChI=1S/C6H7NS/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2

InChI Key

WCDSVWRUXWCYFN-UHFFFAOYSA-N

Smiles

Nc1ccc([S-])cc1

InChI

InChI=1S/C6H7NS/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2

Property Name	Value
Molecular Formula	C6H7N1S1
Molecular Weight	125.03
AlogP	1.56
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	26.02
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C6H7N1S1

Molecular Weight

125.03

AlogP

1.56

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

26.02

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	1193-02-8
NORMAN SUSDAT
FDA SRS	8X56V0K20X
PubChem	14510
ChemSpider	13854.0

Resources

Reference

CAS NUMBER

1193-02-8

NORMAN SUSDAT

FDA SRS

8X56V0K20X

PubChem

14510

ChemSpider

13854.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

4-AMINOTHIOPHENOL

Structure

Physicochemical Descriptors

Cross References