hexyl thiohypofluorite

C6H13FS — CID 59067997

IUPAChexyl thiohypofluorite
SMILESCCCCCCSF
InChIInChI=1S/C6H13FS/c1-2-3-4-5-6-8-7/h2-6H2,1H3
InChIKeyJUPHCRBXXATMHX-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.18
Rot. Bonds5

About hexyl thiohypofluorite

hexyl thiohypofluorite (PubChem CID 59067997) has the molecular formula C6H13FS and a molecular weight of 136.24 g/mol. Its IUPAC name is hexyl thiohypofluorite.

Molecular Properties

Compound Namehexyl thiohypofluorite
PubChem CID59067997
Molecular FormulaC6H13FS
Molecular Weight136.24 g/mol
Exact Mass136.07
IUPAC Namehexyl thiohypofluorite
SMILESCCCCCCSF
InChIInChI=1S/C6H13FS/c1-2-3-4-5-6-8-7/h2-6H2,1H3
InChIKeyJUPHCRBXXATMHX-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.18
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
Chloro-tetrafluoro-hexyl-lambda6-sulfane
CID 176437544
6-Sulfanylhexyl thiohypofluorite
CID 59067999
Heptyl thiohypofluorite
CID 59366553
Pentafluoro(pentyl)-lambda6-sulfane
CID 87183785
Pentyl thiohypofluorite
CID 87665741
Trifluoro(pentyl)-lambda4-sulfane
CID 87899636
[(2R)-butan-2-yl] thiohypofluorite
CID 122692134
Butan-2-yl thiohypofluorite
CID 143749976
5-Fluorohexane-2-thiol
CID 144463817
1-Fluorohexane-2-thiol
CID 144463841
1-Fluorohexane-1-thiol
CID 150169527

Frequently Asked Questions

What is the IUPAC name of hexyl thiohypofluorite?
The IUPAC name of hexyl thiohypofluorite (CID 59067997) is hexyl thiohypofluorite.
What is the SMILES notation for hexyl thiohypofluorite?
The canonical SMILES for hexyl thiohypofluorite is CCCCCCSF.
What is the InChIKey of hexyl thiohypofluorite?
The InChIKey is JUPHCRBXXATMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FS/c1-2-3-4-5-6-8-7/h2-6H2,1H3.
What are the key properties of hexyl thiohypofluorite?
hexyl thiohypofluorite has a molecular weight of 136.24 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl thiohypofluorite is sourced from PubChem (CID 59067997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).