5-(2-Hydroxyethyl)-3,4-dimethylthiazolium iodide
PubChem CID
9838770
Structure
Molecular Formula
Synonyms
- 16311-69-6
- 5-(2-Hydroxyethyl)-3,4-dimethylthiazol-3-ium iodide
- 3,4-Dimethyl-5-(2-hydroxyethyl)thiazolium iodide
- 5-(2-Hydroxyethyl)-3,4-dimethylthiazolium iodide
- 5-(2-hydroxyethyl)-3,4-dimethyl-1,3-thiazol-3-ium iodide
Molecular Weight
285.15 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2006-10-25
- Modify:2025-01-18
Chemical Structure Depiction
3D Conformer of Parent
2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethanol;iodide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C7H12NOS.HI/c1-6-7(3-4-9)10-5-8(6)2;/h5,9H,3-4H2,1-2H3;1H/q+1;/p-1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
GDNOYVMHHMSZJV-UHFFFAOYSA-M
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC1=C(SC=[N+]1C)CCO.[I-]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C7H12INOS
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 16311-69-6
- 5-(2-Hydroxyethyl)-3,4-dimethylthiazol-3-ium iodide
- 3,4-Dimethyl-5-(2-hydroxyethyl)thiazolium iodide
- 5-(2-Hydroxyethyl)-3,4-dimethylthiazolium iodide
- 5-(2-hydroxyethyl)-3,4-dimethyl-1,3-thiazol-3-ium iodide
- Thiazolium, 5-(2-hydroxyethyl)-3,4-dimethyl-, iodide (1:1)
- 2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethanol;iodide
- MFCD00011958
- C7H12INOS
- CHEMBL3275136
- EINECS 240-394-3
- SCHEMBL926371
- DTXSID60936790
- BDBM50016812
- AKOS015916266
- DS-13019
- SY261812
- CS-0129736
- NS00053998
- C73138
- 3,4-dimethyl-5-(2hydroxyethyl)thiazolium iodide
- 3,4-dimethyl-5-(2'-hydroxyethyl) thiazolium iodide
- 3,4-dimethyl-5-(2-hydroxyethyl)-thiazolium iodide
- J-010004
- 5-(2-Hydroxyethyl)-3,4-dimethylthiazol-3-iumiodide
- 3-methyl-5-(2-hydroxyethyl)-4-methylthiazolium iodide
- 5-(2-Hydroxyethyl)-3,4-dimethylthiazolium iodide, 98%
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
285.15 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
284.96843 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
284.96843 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
52.4 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
11
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
110
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
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
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Source of Sample
Fluka AG, Buchs, Switzerland
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=GDNOYVMHHMSZJV-UHFFFAOYSA-M
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/3,4-Dimethyl-5-(2-hydroxyethyl)thiazolium iodidehttps://commonchemistry.cas.org/detail?cas_rn=16311-69-6
- ChemIDplus5-(2-Hydroxyethyl)-3,4-dimethylthiazolium iodidehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0016311696ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox5-(2-Hydroxyethyl)-3,4-dimethyl-1,3-thiazol-3-ium iodidehttps://comptox.epa.gov/dashboard/DTXSID60936790CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice5-(2-hydroxyethyl)-3,4-dimethylthiazolium iodidehttps://echa.europa.eu/substance-information/-/substanceinfo/100.036.707
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- SpectraBase3,4-DIMETHYL-5-(2-HYDROXYETHYL)THIAZOLIUM IODIDEhttps://spectrabase.com/spectrum/8mPNFYxenm45-(2-Hydroxyethyl)-3,4-dimethylthiazolium iodidehttps://spectrabase.com/spectrum/fsjyPos6Yw3,4-dimethyl-5-(2-hydroxyethyl)thiazolium iodidehttps://spectrabase.com/spectrum/3Bpf9iZjHzL5-(2-Hydroxyethyl)-3,4-dimethylthiazolium iodidehttps://spectrabase.com/spectrum/GYgTduxhT1w3,4-DIMETHYL-5-(2-HYDROXYETHYL)THIAZOLIUM IODIDEhttps://spectrabase.com/spectrum/I6eSl8veecP5-(2-Hydroxyethyl)-3,4-dimethylthiazolium iodidehttps://spectrabase.com/spectrum/CBXtuyuDRWf
- Springer Nature
- Wikidata5-(2-Hydroxyethyl)-3,4-dimethyl-1,3-thiazol-3-ium iodidehttps://www.wikidata.org/wiki/Q82912997
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403517711https://pubchem.ncbi.nlm.nih.gov/substance/403517711
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