Disulfide, bis(trifluoromethyl)
PubChem CID
67795
Structure
Molecular Formula
Synonyms
- 372-64-5
- Bis(trifluoromethyl) disulfide
- Disulfide, bis(trifluoromethyl)
- Bis(trifluoromethyl)disulfide
- trifluoro-(trifluoromethyldisulfanyl)methane
Molecular Weight
202.15 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-03-27
- Modify:2025-01-25
Chemical Structure Depiction
trifluoro-(trifluoromethyldisulfanyl)methane
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C2F6S2/c3-1(4,5)9-10-2(6,7)8
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CGMFFOXAQVRUAZ-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C(F)(F)(F)SSC(F)(F)F
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C2F6S2
Computed by PubChem 2.2 (PubChem release 2024.11.20)
bis(trifluoromethyl)disulfide
- 372-64-5
- Bis(trifluoromethyl) disulfide
- Disulfide, bis(trifluoromethyl)
- Bis(trifluoromethyl)disulfide
- trifluoro-(trifluoromethyldisulfanyl)methane
- Di(Trifluoromethyl)disulphide
- Trifluoromethyl disulfide
- C2F6S2
- Perfluorodimethyl disulfide
- di(Trifluoromethyl)disulfide
- bis(trifluoromethyl)disulphide
- SCHEMBL576660
- DTXSID4073172
- bis-(trifluoromethyl) -disulfane
- Di(methyl) disulfide, perfluoro-
- 1,2-bis(trifluoromethyl)disulfane
- MFCD00041514
- AKOS015852983
- trifluoro-trifluoromethyldisulfanyl-methane
- DB-400735
- trifluoro-(trifluoromethyldisulfanyl)-methane
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
202.15 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
3.3
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
201.93456132 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
201.93456132 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
50.6 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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
87.3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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)
NIST Number
34210
Library
Main library
Total Peaks
43
m/z Top Peak
69
m/z 2nd Highest
202
m/z 3rd Highest
64
Thumbnail
NIST Number
9168
Library
Replicate library
Total Peaks
61
m/z Top Peak
69
m/z 2nd Highest
202
m/z 3rd Highest
114
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.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=CGMFFOXAQVRUAZ-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/Bis(trifluoromethyl) disulfidehttps://commonchemistry.cas.org/detail?cas_rn=372-64-5
- ChemIDplusBis(trifluoromethyl)disulfidehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0000372645ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxBis(trifluoromethyl) disulfidehttps://comptox.epa.gov/dashboard/DTXSID4073172CompTox 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-lawDisulfide, bis(trifluoromethyl)http://www.nist.gov/srd/nist1a.cfm
- SpectraBaseDisulfide, bis(trifluoromethyl)https://spectrabase.com/spectrum/3IaeRka4zSXDisulfide, bis(trifluoromethyl)https://spectrabase.com/spectrum/CVhqthbD5ECtrifluoro-(trifluoromethyldisulfanyl)methanehttps://spectrabase.com/spectrum/5JDt1cTu1KiBIS(TRIFLUOROMETHYL)DISULPHIDEhttps://spectrabase.com/spectrum/GYyXYNGYZhI
- Springer Nature
- SpringerMaterialsBis(trifluoromethyl) disulfidehttps://materials.springer.com/substanceprofile/docs/smsid_bfnmminwrbcglzkp
- 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/
- Wikidatabis(trifluoromethyl) disulfidehttps://www.wikidata.org/wiki/Q82001572
- WikipediaBis(trifluoromethyl) disulfidehttps://en.wikipedia.org/wiki/Bis(trifluoromethyl)_disulfide
- Wiley
- PubChemPFAS and Fluorinated Compounds in PubChemhttps://gitlab.com/uniluxembourg/lcsb/eci/pubchem-docs/-/raw/main/pfas-tree/PFAS_Tree.pdf?inline=false
- 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.htmlbis(trifluoromethyl)disulfidehttps://www.ncbi.nlm.nih.gov/mesh/67074419
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388311132https://pubchem.ncbi.nlm.nih.gov/substance/388311132
CONTENTS