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109037-75-4 molecular structure
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(4-{[4-(diphenylsulfaniumyl)phenyl]sulfanyl}phenyl)diphenylsulfanium; diphenyl[4-(phenylsulfanyl)phenyl]sulfanium; tris(hexafluorostibanuide)

ChemBase ID: 136078
Molecular Formular: C60H47F18S5Sb3
Molecular Mass: 1635.5914376
Monoisotopic Mass: 1631.91083446
SMILES and InChIs

SMILES:
c1ccc(cc1)Sc1ccc(cc1)[S+](c1ccccc1)c1ccccc1.c1ccc(cc1)[S+](c1ccccc1)c1ccc(cc1)Sc1ccc(cc1)[S+](c1ccccc1)c1ccccc1.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F
Canonical SMILES:
c1ccc(cc1)[S+](c1ccccc1)c1ccc(cc1)Sc1ccc(cc1)[S+](c1ccccc1)c1ccccc1.c1ccc(cc1)Sc1ccc(cc1)[S+](c1ccccc1)c1ccccc1.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F
InChI:
InChI=1S/C36H28S3.C24H19S2.18FH.3Sb/c1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;;;;;;;;;;;;;;;;;;;;;/h1-28H;1-19H;18*1H;;;/q+2;+1;;;;;;;;;;;;;;;;;;;3*+5/p-18
InChIKey:
YASCSMWRFXPFOO-UHFFFAOYSA-A

Cite this record

CBID:136078 http://www.chembase.cn/molecule-136078.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-{[4-(diphenylsulfaniumyl)phenyl]sulfanyl}phenyl)diphenylsulfanium; diphenyl[4-(phenylsulfanyl)phenyl]sulfanium; tris(hexafluorostibanuide)
IUPAC Traditional name
(4-{[4-(diphenylsulfaniumyl)phenyl]sulfanyl}phenyl)diphenylsulfanium; diphenyl[4-(phenylsulfanyl)phenyl]sulfanium; tris(hexafluorostibanuide)
Synonyms
Triarylsulfonium hexafluoroantimonate salts, mixed
三芳基锍六氟锑酸盐混合物
CAS Number
109037-75-4
MDL Number
MFCD03411230
PubChem SID
162230349
24884009
PubChem CID
16717652

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
654027 external link Add to cart Please log in.
Data Source Data ID
PubChem 16717652 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 8.14079  LogD (pH = 7.4) 8.14079 
Log P 8.14079  Molar Refractivity 170.9835 cm3
Polarizability 68.1044 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 13  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
>220 °C expand Show data source
Flash Point
>140 °C expand Show data source
>284 °F expand Show data source
Density
1.410 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.502 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/22-36-51/53 expand Show data source
Safety Statements
26-61 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H319-H331-H411 expand Show data source
GHS Precautionary statements
P261-P273-P305 + P351 + P338-P311 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Concentration
50 wt. % in propylene carbonate expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 654027 external link
Packaging
25, 100 mL in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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