Cyclopropyl 2-thienyl ketone
PubChem CID
80328
Structure
Molecular Formula
Synonyms
- Cyclopropyl 2-thienyl ketone
- 6193-47-1
- cyclopropyl(thiophen-2-yl)methanone
- Cyclopropyl(2-thienyl)methanone
- Cyclopropyl2-thienylketone
Molecular Weight
152.22 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-01-11
Chemical Structure Depiction
cyclopropyl(thiophen-2-yl)methanone
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C8H8OS/c9-8(6-3-4-6)7-2-1-5-10-7/h1-2,5-6H,3-4H2
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
PJDFNFSTSCAKPC-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1CC1C(=O)C2=CC=CS2
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C8H8OS
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- Cyclopropyl 2-thienyl ketone
- 6193-47-1
- cyclopropyl(thiophen-2-yl)methanone
- Cyclopropyl(2-thienyl)methanone
- Cyclopropyl2-thienylketone
- NSC70849
- EINECS 228-247-1
- MFCD00005427
- Cyclopropyl 2-thienylketone
- Cyclopropyl 2-thyenyl ketone
- BIDD:GT0674
- SCHEMBL621714
- PJDFNFSTSCAKPC-UHFFFAOYSA-
- DTXSID20210967
- cyclopropyl-thiophen-2-ylmethanone
- Cyclopropyl(2-thienyl)methanone #
- Methanone, cyclopropyl 2-thienyl-
- Cyclopropyl 2-thienyl ketone, 97%
- NSC 70849
- NSC-70849
- AKOS009159109
- AS-62243
- DB-026498
- C1088
- CS-0250040
- NS00034856
- EN300-49275
- D89354
- J-520193
- F2189-1022
- Z385420846
- InChI=1/C8H8OS/c9-8(6-3-4-6)7-2-1-5-10-7/h1-2,5-6H,3-4H2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
152.22 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
1.7
Reference
Computed by XLogP3 3.0 (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
152.02958605 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
152.02958605 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
45.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
10
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
151
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
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
1D NMR Spectra
NIST Number
236756
Library
Main library
Total Peaks
88
m/z Top Peak
111
m/z 2nd Highest
152
m/z 3rd Highest
39
Thumbnail
NIST Number
118006
Library
Replicate library
Total Peaks
84
m/z Top Peak
111
m/z 2nd Highest
39
m/z 3rd Highest
152
Thumbnail
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.
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=PJDFNFSTSCAKPC-UHFFFAOYSA-N
- 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/Cyclopropyl-2-thienylmethanonehttps://commonchemistry.cas.org/detail?cas_rn=6193-47-1
- ChemIDplusCyclopropyl 2-thienyl ketonehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0006193471ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSToxCyclopropyl 2-thienyl ketonehttps://comptox.epa.gov/dashboard/DTXSID20210967CompTox 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-noticeCyclopropyl 2-thienyl ketonehttps://echa.europa.eu/substance-information/-/substanceinfo/100.025.680
- 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-lawCyclopropyl 2-thienyl ketonehttp://www.nist.gov/srd/nist1a.cfm
- NMRShiftDB
- SpectraBaseCYCLOPROPYL 2-THIENYL KETONEhttps://spectrabase.com/spectrum/6Pq8HlxgplgCyclopropyl-2-thienyl-ketonehttps://spectrabase.com/spectrum/4AJtEzU1h4KCYCLOPROPYL 2-THIENYL KETONEhttps://spectrabase.com/spectrum/5b8v7eSR0nyCyclopropyl-2-thienyl-ketonehttps://spectrabase.com/spectrum/DsF3AI4dUqtcyclopropyl 2-thienyl ketonehttps://spectrabase.com/spectrum/3DDpPTkV1YBKETONE, CYCLOPROPYL 2-THIENYL,https://spectrabase.com/spectrum/JH5DvNJEPBJCyclopropyl 2-thienyl ketonehttps://spectrabase.com/spectrum/MsI7XGekEQCyclopropyl 2-thienyl ketonehttps://spectrabase.com/spectrum/75isTbAA37zCyclopropyl 2-thienyl ketonehttps://spectrabase.com/spectrum/4NdfXYvz4kKCyclopropyl 2-thienyl ketonehttps://spectrabase.com/spectrum/BUgckrguk3o
- Springer Nature
- 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/
- WikidataCyclopropyl 2-thienyl ketonehttps://www.wikidata.org/wiki/Q72461193
- 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 388743354https://pubchem.ncbi.nlm.nih.gov/substance/388743354
CONTENTS