cesium trifluoromethanethiolate

CCsF3S — CID 23693124

IUPACcesium trifluoromethanethiolate
SMILESFC(F)(F)[S-].[Cs+]
InChIInChI=1S/CHF3S.Cs/c2-1(3,4)5;/h5H;/q;+1/p-1
InChIKeyHSZQXKBTOBPIAD-UHFFFAOYSA-M
MW233.98 g/mol
LogP-1.94
Rot. Bonds

About cesium trifluoromethanethiolate

cesium trifluoromethanethiolate (PubChem CID 23693124) has the molecular formula CCsF3S and a molecular weight of 233.98 g/mol. Its IUPAC name is cesium trifluoromethanethiolate.

Molecular Properties

Compound Namecesium trifluoromethanethiolate
PubChem CID23693124
Molecular FormulaCCsF3S
Molecular Weight233.98 g/mol
Exact Mass233.87
IUPAC Namecesium trifluoromethanethiolate
SMILESFC(F)(F)[S-].[Cs+]
InChIInChI=1S/CHF3S.Cs/c2-1(3,4)5;/h5H;/q;+1/p-1
InChIKeyHSZQXKBTOBPIAD-UHFFFAOYSA-M
XLogP-1.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.98
LogP ≤ 5-1.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

Trifluoromethanethiolate
CID 23432824
CID 5360641
CID 5360641
Cesium;hydride;trifluoromethanethiol
CID 174757801

Frequently Asked Questions

What is the IUPAC name of cesium trifluoromethanethiolate?
The IUPAC name of cesium trifluoromethanethiolate (CID 23693124) is cesium trifluoromethanethiolate.
What is the SMILES notation for cesium trifluoromethanethiolate?
The canonical SMILES for cesium trifluoromethanethiolate is FC(F)(F)[S-].[Cs+].
What is the InChIKey of cesium trifluoromethanethiolate?
The InChIKey is HSZQXKBTOBPIAD-UHFFFAOYSA-M. The full InChI is InChI=1S/CHF3S.Cs/c2-1(3,4)5;/h5H;/q;+1/p-1.
What are the key properties of cesium trifluoromethanethiolate?
cesium trifluoromethanethiolate has a molecular weight of 233.98 g/mol, XLogP of -1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cesium trifluoromethanethiolate is sourced from PubChem (CID 23693124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).