EcoDrugPlus


Keyword(s):	Drinking Water Chemicals
Molecule Category	Salt-form
UNII	A9U1687S1S
EPA CompTox	DTXSID0020367

Keyword(s):

Drinking Water Chemicals

Molecule Category

Salt-form

UNII

A9U1687S1S

EPA CompTox

DTXSID0020367


InChI Key	IFQSXNOEEPCSLW-DKWTVANSSA-N
Smiles	Cl.NC(CS)C(O)=O
InChI	InChI=1S/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H/t2-;/m0./s1

InChI Key

IFQSXNOEEPCSLW-DKWTVANSSA-N

Smiles

Cl.NC(CS)C(O)=O

InChI

InChI=1S/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H/t2-;/m0./s1

Property Name	Value
Molecular Formula	C3H8ClNO2S
Molecular Weight	157.0
AlogP	-0.25
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	63.32
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C3H8ClNO2S

Molecular Weight

157.0

AlogP

-0.25

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

63.32

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	52-89-1
NORMAN SUSDAT
FDA SRS	A9U1687S1S
PubChem	60960
ChemSpider	54922.0

Resources

Reference

CAS NUMBER

52-89-1

NORMAN SUSDAT

FDA SRS

A9U1687S1S

PubChem

60960

ChemSpider

54922.0

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

L-CYSTEINE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References