cyclopentanethiol;trihydrofluoride

C5H13F3S — CID 173369832

IUPACcyclopentanethiol;trihydrofluoride
SMILESF.F.F.SC1CCCC1
InChIInChI=1S/C5H10S.3FH/c6-5-3-1-2-4-5;;;/h5-6H,1-4H2;3*1H
InChIKeyRKXLSSYGVNYJGU-UHFFFAOYSA-N
MW162.22 g/mol
LogP2.32
Rot. Bonds

About cyclopentanethiol;trihydrofluoride

cyclopentanethiol;trihydrofluoride (PubChem CID 173369832) has the molecular formula C5H13F3S and a molecular weight of 162.22 g/mol. Its IUPAC name is cyclopentanethiol;trihydrofluoride.

Molecular Properties

Compound Namecyclopentanethiol;trihydrofluoride
PubChem CID173369832
Molecular FormulaC5H13F3S
Molecular Weight162.22 g/mol
Exact Mass162.07
IUPAC Namecyclopentanethiol;trihydrofluoride
SMILESF.F.F.SC1CCCC1
InChIInChI=1S/C5H10S.3FH/c6-5-3-1-2-4-5;;;/h5-6H,1-4H2;3*1H
InChIKeyRKXLSSYGVNYJGU-UHFFFAOYSA-N
XLogP2.32
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 52.32
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 cyclopentanethiol;trihydrofluoride?
The IUPAC name of cyclopentanethiol;trihydrofluoride (CID 173369832) is cyclopentanethiol;trihydrofluoride.
What is the SMILES notation for cyclopentanethiol;trihydrofluoride?
The canonical SMILES for cyclopentanethiol;trihydrofluoride is F.F.F.SC1CCCC1.
What is the InChIKey of cyclopentanethiol;trihydrofluoride?
The InChIKey is RKXLSSYGVNYJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S.3FH/c6-5-3-1-2-4-5;;;/h5-6H,1-4H2;3*1H.
What are the key properties of cyclopentanethiol;trihydrofluoride?
cyclopentanethiol;trihydrofluoride has a molecular weight of 162.22 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanethiol;trihydrofluoride is sourced from PubChem (CID 173369832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).