N-(2-mercaptoethyl)-1,3-thiazolidine
PubChem CID
3458885
Structure
Molecular Formula
Synonyms
- N-(2-mercaptoethyl)-1,3-thiazolidine
- 317803-03-5
- 2-Thiazolidin-3-ylethanethiol
- 2-(1,3-thiazolidin-3-yl)ethanethiol
- 2-(1,3-thiazolidin-3-yl)ethane-1-thiol
Molecular Weight
149.3 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-09-08
- Modify:2024-12-28
Chemical Structure Depiction
2-(1,3-thiazolidin-3-yl)ethanethiol
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C5H11NS2/c7-3-1-6-2-4-8-5-6/h7H,1-5H2
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
QZSFSYKRUWBUHJ-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C1CSCN1CCS
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)
C5H11NS2
Computed by PubChem 2.1 (PubChem release 2019.06.18)
317803-03-5
N-(2-mercaptoethyl)-1,3-thiazolidine
- N-(2-mercaptoethyl)-1,3-thiazolidine
- 317803-03-5
- 2-Thiazolidin-3-ylethanethiol
- 2-(1,3-thiazolidin-3-yl)ethanethiol
- 2-(1,3-thiazolidin-3-yl)ethane-1-thiol
- DTXSID00392679
- 3-Thiazolidineethanethiol
- MFCD04037372
- 3-Thiazolidin-ethanthiol
- SCHEMBL7063081
- 2-(thiazolidin-3-yl)ethanethiol
- DTXCID00343540
- AKOS006280087
- EN300-314914
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
149.3 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
1.1
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
149.03329170 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
149.03329170 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
29.5Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
8
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
67.4
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2011.04.04)
Semi-standard non-polar
1325
Standard polar
2035
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=QZSFSYKRUWBUHJ-UHFFFAOYSA-N
- EPA DSSToxN-(2-mercaptoethyl)-1,3-thiazolidinehttps://comptox.epa.gov/dashboard/DTXSID00392679CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawN-(2-mercaptoethyl)-1,3-thiazolidinehttp://www.nist.gov/srd/nist1a.cfm
- Springer Nature
- WikidataN-(2-mercaptoethyl)-1,3-thiazolidinehttps://www.wikidata.org/wiki/Q82191046
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlN-(2-mercaptoethyl)-1,3-thiazolidinehttps://www.ncbi.nlm.nih.gov/mesh/67466901
- PATENTSCOPE (WIPO)SID 389458565https://pubchem.ncbi.nlm.nih.gov/substance/389458565
CONTENTS