propanethioyl fluoride

C3H5FS — CID 152774276

IUPACpropanethioyl fluoride
SMILESCCC(F)=S
InChIInChI=1S/C3H5FS/c1-2-3(4)5/h2H2,1H3
InChIKeyHIINUNADNFRKTG-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.69
Rot. Bonds1

About propanethioyl fluoride

propanethioyl fluoride (PubChem CID 152774276) has the molecular formula C3H5FS and a molecular weight of 92.14 g/mol. Its IUPAC name is propanethioyl fluoride.

Molecular Properties

Compound Namepropanethioyl fluoride
PubChem CID152774276
Molecular FormulaC3H5FS
Molecular Weight92.14 g/mol
Exact Mass92.01
IUPAC Namepropanethioyl fluoride
SMILESCCC(F)=S
InChIInChI=1S/C3H5FS/c1-2-3(4)5/h2H2,1H3
InChIKeyHIINUNADNFRKTG-UHFFFAOYSA-N
XLogP1.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propanethioyl fluoride?
The IUPAC name of propanethioyl fluoride (CID 152774276) is propanethioyl fluoride.
What is the SMILES notation for propanethioyl fluoride?
The canonical SMILES for propanethioyl fluoride is CCC(F)=S.
What is the InChIKey of propanethioyl fluoride?
The InChIKey is HIINUNADNFRKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FS/c1-2-3(4)5/h2H2,1H3.
What are the key properties of propanethioyl fluoride?
propanethioyl fluoride has a molecular weight of 92.14 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propanethioyl fluoride is sourced from PubChem (CID 152774276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).