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62086-04-8 molecular structure
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tin(2+) ion trifluoromethanesulfonate

ChemBase ID: 99121
Molecular Formular: CF3O3SSn+
Molecular Mass: 267.7701096
Monoisotopic Mass: 268.85421852
SMILES and InChIs

SMILES:
[Sn+2].S(=O)(=O)(C(F)(F)F)[O-]
Canonical SMILES:
FC(S(=O)(=O)[O-])(F)F.[Sn+2]
InChI:
InChI=1S/CHF3O3S.Sn/c2-1(3,4)8(5,6)7;/h(H,5,6,7);/q;+2/p-1
InChIKey:
IZICSWRWPHAWLH-UHFFFAOYSA-M

Cite this record

CBID:99121 http://www.chembase.cn/molecule-99121.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tin(2+) ion trifluoromethanesulfonate
IUPAC Traditional name
tin, ion (sn2+) triflate
Synonyms
Tin(II) trifluoromethanesulphonate, tech.
CAS Number
62086-04-8
MDL Number
MFCD00191251
PubChem SID
162085418
PubChem CID
44717640

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC6592A external link Add to cart Please log in.
Data Source Data ID
PubChem 44717640 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polarizability 7.460577 Å3 Polar Surface Area 57.2 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa -3.4301212  H Acceptors
H Donor LogD (pH = 5.5) -1.2283616 
LogD (pH = 7.4) -1.2283617  Log P 1.1480371 
Molar Refractivity 15.8602 cm3

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
>300°C expand Show data source
Storage Warning
Corrosive/Hygroscopic/Keep Cold/Store under Argon expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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