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Molecule
ID:9886
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂F₆S₂
Molecular Mass
202.1418192
Exact Mass
201.93456132
Charge
0
InChI
InChI=1S/C2F6S2/c3-1(4,5)9-10-2(6,7)8
InChIKey
CGMFFOXAQVRUAZ-UHFFFAOYSA-N
Canonic Smiles
FC(SSC(F)(F)F)(F)F
Isomeric Smiles
S(SC(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4989963
LogD (pH = 7.4)
4.4989963
Log P
4.4989963
Molar Refractivity
27.1384
Polarizability
10.401949
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
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Molecule Details
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Data Source
Academic Data
PubChem
67795
Commercial Catalog
Matrix Scientific
006494
Names and Identifiers
Synonyms
Bis(trifluoromethyl) disulfide
IUPAC name
trifluoro[(trifluoromethyl)disulfanyl]methane
IUPAC Traditional name
trifluoro[(trifluoromethyl)disulfanyl]methane
Registration numbers
PubChem SID
160973193
PubChem CID
67795
CAS Number
372-64-5
MDL Number
MFCD00041514
Properties
Physical Property
Boiling Point
34°C
Source
Density
1.51
Source
Product Information
Purity
99+%
Source
Safety Information
MSDS Link
Download link
Source
TSCA Listed
false
Source
Storage Warning
TOXIC BY INHALATION
Source
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay