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MFCD09993345 molecular structure
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potassium trifluoro[(phenylsulfanyl)methyl]boranuide

ChemBase ID: 270727
Molecular Formular: C7H7BF3KS
Molecular Mass: 230.0999896
Monoisotopic Mass: 229.99506796
SMILES and InChIs

SMILES:
[B-](CSc1ccccc1)(F)(F)F.[K+]
Canonical SMILES:
F[B-](CSc1ccccc1)(F)F.[K+]
InChI:
InChI=1S/C7H7BF3S.K/c9-8(10,11)6-12-7-4-2-1-3-5-7;/h1-5H,6H2;/q-1;+1
InChIKey:
WKOGVZLRQPZGOV-UHFFFAOYSA-N

Cite this record

CBID:270727 http://www.chembase.cn/molecule-270727.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium trifluoro[(phenylsulfanyl)methyl]boranuide
IUPAC Traditional name
potassium trifluoro[(phenylsulfanyl)methyl]boranuide
Synonyms
potassium trifluoro[(phenylsulfanyl)methyl]boranuide
MDL Number
MFCD09993345
PubChem SID
164326637
PubChem CID
50987187

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69799 external link Add to cart Please log in.
Data Source Data ID
PubChem 50987187 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1143  LogD (pH = 7.4) 3.1143 
Log P 3.1143  Molar Refractivity 41.9448 cm3
Polarizability 16.724873 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.638 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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