4,5-Ethylenedithio-1,3-dithiol-2-one
PubChem CID
610302
Structure
Molecular Formula
Synonyms
- 4,5-Ethylenedithio-1,3-dithiol-2-one
- 74962-29-1
- 5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-one
- 5,6-Dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-one
- MFCD00137883
Molecular Weight
208.4 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Chemical Structure Depiction
5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-one
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
InChI=1S/C5H4OS4/c6-5-9-3-4(10-5)8-2-1-7-3/h1-2H2
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
NMNDMYIFMUGDMA-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
C1CSC2=C(S1)SC(=O)S2
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C5H4OS4
Computed by PubChem 2.1 (PubChem release 2021.05.07)
74962-29-1
- 4,5-Ethylenedithio-1,3-dithiol-2-one
- 74962-29-1
- 5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-one
- 5,6-Dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-one
- MFCD00137883
- 5,6-Dihydro-1,3-dithiolo[4,5-b][1,4]dithiin-2-one
- SCHEMBL1520531
- 1,3-Dithiolo[4,5-b][1,4]dithiin-2-one, 5,6-dihydro-
- DTXSID80346190
- STL363214
- AKOS000675990
- CS-0373790
- E0460
- T72903
- AE-848/30721061
- 5,6-Dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-one #
- 5H,6H-[1,3]DITHIOLO[4,5-B][1,4]DITHIIN-2-ONE
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
208.4 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
2.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
207.91449944 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
207.91449944 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
118 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
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
190
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
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)
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.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=NMNDMYIFMUGDMA-UHFFFAOYSA-N
- EPA DSSTox4,5-Ethylenedithio-1,3-dithiol-2-onehttps://comptox.epa.gov/dashboard/DTXSID80346190
- 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-law1,3-Dithiolo[4,5-b][1,4]dithiin-2-one, 5,6-dihydro-http://www.nist.gov/srd/nist1a.cfm
- SpectraBase5,6-Dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-onehttps://spectrabase.com/spectrum/2GSJw1unWK94,5-ethylenedithio-1,3-dithiol-2-onehttps://spectrabase.com/spectrum/1sCrhYU22e65,6-dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-onehttps://spectrabase.com/spectrum/9EjxfsRyCjA5,6-dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-onehttps://spectrabase.com/spectrum/7wUZBRTlbHL4,5-Ethylenedithio-1,3-dithiol-2-onehttps://spectrabase.com/spectrum/I9cUDSTipeI
- Springer Nature
- SpringerMaterials5,6-Dihydro-1,3-dithiolo[4,5-b][1,4]dithiin-2-onehttps://materials.springer.com/substanceprofile/docs/smsid_crwwucaegfdsviev
- 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/
- Wikidata4,5-Ethylenedithio-1,3-dithiol-2-onehttps://www.wikidata.org/wiki/Q82119087
- Wiley
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388856094https://pubchem.ncbi.nlm.nih.gov/substance/388856094
CONTENTS