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474668-34-3 molecular structure
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[2-(pentafluoro-λ6-sulfanyl)ethynyl]tris(propan-2-yl)silane

ChemBase ID: 135719
Molecular Formular: C11H21F5SSi
Molecular Mass: 308.426956
Monoisotopic Mass: 308.1053393
SMILES and InChIs

SMILES:
CC(C)[Si](C#CS(F)(F)(F)(F)F)(C(C)C)C(C)C
Canonical SMILES:
CC([Si](C(C)C)(C(C)C)C#CS(F)(F)(F)(F)F)C
InChI:
InChI=1S/C11H21F5SSi/c1-9(2)18(10(3)4,11(5)6)8-7-17(12,13,14,15)16/h9-11H,1-6H3
InChIKey:
OHFCQWVMVRPEHF-UHFFFAOYSA-N

Cite this record

CBID:135719 http://www.chembase.cn/molecule-135719.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(pentafluoro-λ6-sulfanyl)ethynyl]tris(propan-2-yl)silane
IUPAC Traditional name
triisopropyl[2-(pentafluoro-λ6-sulfanyl)ethynyl]silane
Synonyms
Pentafluoro[(triisopropylsilyl)ethynyl]sulfur
[(Triisopropylsilyl)acetylene]sulfur pentafluoride
五氟化[(三异丙基硅基)乙炔基]硫
[(三异丙基硅基)乙炔]五氟化硫
CAS Number
474668-34-3
MDL Number
MFCD11045451
PubChem SID
162229992
PubChem CID
12010439

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
697621 external link Add to cart Please log in.
Data Source Data ID
PubChem 12010439 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.9778  LogD (pH = 7.4) 5.9778 
Log P 5.9778  Molar Refractivity 63.107 cm3
Polarizability 26.256872 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Density
1.076 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.414 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
95% expand Show data source
Empirical Formula (Hill Notation)
C11H21F5SSi expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 697621 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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