cesium;hydride;trifluoromethanethiol

CH2CsF3S — CID 174757801

IUPACcesium;hydride;trifluoromethanethiol
SMILESFC(F)(F)S.[Cs+].[H-]
InChIInChI=1S/CHF3S.Cs.H/c2-1(3,4)5;;/h5H;;/q;+1;-1
InChIKeyODBURGDMILYAJA-UHFFFAOYSA-N
MW235.99 g/mol
LogP-1.45
Rot. Bonds

About cesium;hydride;trifluoromethanethiol

cesium;hydride;trifluoromethanethiol (PubChem CID 174757801) has the molecular formula CH2CsF3S and a molecular weight of 235.99 g/mol. Its IUPAC name is cesium;hydride;trifluoromethanethiol.

Molecular Properties

Compound Namecesium;hydride;trifluoromethanethiol
PubChem CID174757801
Molecular FormulaCH2CsF3S
Molecular Weight235.99 g/mol
Exact Mass235.89
IUPAC Namecesium;hydride;trifluoromethanethiol
SMILESFC(F)(F)S.[Cs+].[H-]
InChIInChI=1S/CHF3S.Cs.H/c2-1(3,4)5;;/h5H;;/q;+1;-1
InChIKeyODBURGDMILYAJA-UHFFFAOYSA-N
XLogP-1.45
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.99
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cesium;hydride;trifluoromethanethiol?
The IUPAC name of cesium;hydride;trifluoromethanethiol (CID 174757801) is cesium;hydride;trifluoromethanethiol.
What is the SMILES notation for cesium;hydride;trifluoromethanethiol?
The canonical SMILES for cesium;hydride;trifluoromethanethiol is FC(F)(F)S.[Cs+].[H-].
What is the InChIKey of cesium;hydride;trifluoromethanethiol?
The InChIKey is ODBURGDMILYAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/CHF3S.Cs.H/c2-1(3,4)5;;/h5H;;/q;+1;-1.
What are the key properties of cesium;hydride;trifluoromethanethiol?
cesium;hydride;trifluoromethanethiol has a molecular weight of 235.99 g/mol, XLogP of -1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;hydride;trifluoromethanethiol is sourced from PubChem (CID 174757801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).