5-(2-Chlorobenzyl)thieno(3,2-C)pyridinium chloride
PubChem CID
13341624
Structure
Chemical Safety
Molecular Formula
Synonyms
- 53885-64-6
- 5-(2-Chlorobenzyl)-thieno[3,2-c]pyridinium Chloride
- 5-(2-Chlorobenzyl)thieno(3,2-C)pyridinium chloride
- UNII-084CB2NI7D
- 084CB2NI7D
Molecular Weight
296.2 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2007-02-08
- Modify:2025-01-11
Chemical Structure Depiction
3D Conformer of Parent
5-[(2-chlorophenyl)methyl]thieno[3,2-c]pyridin-5-ium;chloride
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C14H11ClNS.ClH/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14;/h1-8,10H,9H2;1H/q+1;/p-1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
MIKRQGCVDHVAHS-UHFFFAOYSA-M
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=CC=C(C(=C1)C[N+]2=CC3=C(C=C2)SC=C3)Cl.[Cl-]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C14H11Cl2NS
Computed by PubChem 2.2 (PubChem release 2021.10.14)
53885-64-6
- 53885-64-6
- 5-(2-Chlorobenzyl)-thieno[3,2-c]pyridinium Chloride
- 5-(2-Chlorobenzyl)thieno(3,2-C)pyridinium chloride
- UNII-084CB2NI7D
- 084CB2NI7D
- Ticlopidine hydrochloride impurity E chloride
- 5-[(2-chlorophenyl)methyl]thieno[3,2-c]pyridin-5-ium;chloride
- DTXSID70202155
- Thieno(3,2-C)pyridinium, 5-((2-chlorophenyl)methyl)-, chloride (1:1)
- 5-(2-Chlorobenzyl)thieno[3,2-c]pyridinium Chloride
- Ticlopidine Hydrochloride Imp. E (EP); Ticlopidine Imp. E (EP); 5-(2-Chlorobenzyl)thieno[3,2-c]pyridinium Chloride; Ticlopidine Hydrochloride Imp. E (EP) as Chloride; Ticlopidine Hydrochloride Impurity E as Chloride; Ticlopidine Impurity E as Chloride
- SCHEMBL11705474
- DTXCID70124646
- DB-253277
- CS-0165221
- Q27236363
- 5-(2-chlorobenzyl)thieno[3,2-c]pyridin-5-ium chloride? (Clopidogrel Impurity pound(c)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
296.2 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
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
294.9989259 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
294.9989259 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
32.1 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
18
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
261
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)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Pictogram(s)
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)
ECHA C&L Notifications Summary
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
- ChemIDplus5-(2-Chlorobenzyl)thieno(3,2-C)pyridinium chloridehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0053885646ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox5-(2-Chlorobenzyl)thieno(3,2-C)pyridinium chloridehttps://comptox.epa.gov/dashboard/DTXSID70202155CompTox 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-notice[No public or meaningful name is available]https://echa.europa.eu/substance-information/-/substanceinfo/100.169.745
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking5-(2-CHLOROBENZYL)THIENO(3,2-C)PYRIDINIUM CHLORIDEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/084CB2NI7D
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata5-(2-chlorobenzyl)thieno(3,2-c)pyridinium chloridehttps://www.wikidata.org/wiki/Q27236363
- PubChem
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
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