pentyl thiohypofluorite

C5H11FS — CID 87665741

IUPACpentyl thiohypofluorite
SMILESCCCCCSF
InChIInChI=1S/C5H11FS/c1-2-3-4-5-7-6/h2-5H2,1H3
InChIKeyCYUKBWRAENTXBI-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.79
Rot. Bonds4

About pentyl thiohypofluorite

pentyl thiohypofluorite (PubChem CID 87665741) has the molecular formula C5H11FS and a molecular weight of 122.21 g/mol. Its IUPAC name is pentyl thiohypofluorite.

Molecular Properties

Compound Namepentyl thiohypofluorite
PubChem CID87665741
Molecular FormulaC5H11FS
Molecular Weight122.21 g/mol
Exact Mass122.06
IUPAC Namepentyl thiohypofluorite
SMILESCCCCCSF
InChIInChI=1S/C5H11FS/c1-2-3-4-5-7-6/h2-5H2,1H3
InChIKeyCYUKBWRAENTXBI-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

n-Butyl sulfonium fluoride
CID 118977569
Hexyl thiohypofluorite
CID 59067997
Heptyl thiohypofluorite
CID 59366553
Pentafluoro(pentyl)-lambda6-sulfane
CID 87183785
Trifluoro(pentyl)-lambda4-sulfane
CID 87899636
CID 89409968
CID 89409968
Chloro-tetrafluoro-pentyl-lambda6-sulfane
CID 90100937
Butyl-fluoro-sulfanylidene-lambda4-sulfane
CID 90277188
[(2R)-butan-2-yl] thiohypofluorite
CID 122692134
Butan-2-yl(trifluoro)-lambda4-sulfane
CID 137504764
Butan-2-yl thiohypofluorite
CID 143749976
Hexan-2-yl thiohypofluorite
CID 154931702

Frequently Asked Questions

What is the IUPAC name of pentyl thiohypofluorite?
The IUPAC name of pentyl thiohypofluorite (CID 87665741) is pentyl thiohypofluorite.
What is the SMILES notation for pentyl thiohypofluorite?
The canonical SMILES for pentyl thiohypofluorite is CCCCCSF.
What is the InChIKey of pentyl thiohypofluorite?
The InChIKey is CYUKBWRAENTXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FS/c1-2-3-4-5-7-6/h2-5H2,1H3.
What are the key properties of pentyl thiohypofluorite?
pentyl thiohypofluorite has a molecular weight of 122.21 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl thiohypofluorite is sourced from PubChem (CID 87665741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).