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1219501-58-2 molecular structure
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1,4-bis(pentafluoro-$l^{6}-sulfanyl)benzene

ChemBase ID: 97766
Molecular Formular: C6H4F10S2
Molecular Mass: 330.209992
Monoisotopic Mass: 329.95947433
SMILES and InChIs

SMILES:
S(c1ccc(cc1)S(F)(F)(F)(F)F)(F)(F)(F)(F)F
Canonical SMILES:
FS(c1ccc(cc1)S(F)(F)(F)(F)F)(F)(F)(F)F
InChI:
InChI=1S/C6H4F10S2/c7-17(8,9,10,11)5-1-2-6(4-3-5)18(12,13,14,15)16/h1-4H
InChIKey:
QLIYRPKCXKSMRH-UHFFFAOYSA-N

Cite this record

CBID:97766 http://www.chembase.cn/molecule-97766.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,4-bis(pentafluoro-$l^{6}-sulfanyl)benzene
IUPAC Traditional name
1,4-bis(pentafluoro-$l^{6}-sulfanyl)benzene
Synonyms
1,4-Bis(pentafluorothio)benzene
CAS Number
1219501-58-2
MDL Number
MFCD18071068
PubChem SID
162084320
PubChem CID
53395387

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 53395387 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.8118  LogD (pH = 7.4) 5.8118 
Log P 5.8118  Molar Refractivity 51.4152 cm3
Polarizability 18.4327 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Flammable/Harmful expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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