11-sulfanylundecyl thiohypofluorite

C11H23FS2 — CID 126693297

IUPAC11-sulfanylundecyl thiohypofluorite
SMILESFSCCCCCCCCCCCS
InChIInChI=1S/C11H23FS2/c12-14-11-9-7-5-3-1-2-4-6-8-10-13/h13H,1-11H2
InChIKeyXQLXLVVNAKRPNZ-UHFFFAOYSA-N
MW238.44 g/mol
LogP5.04
Rot. Bonds11

About 11-sulfanylundecyl thiohypofluorite

11-sulfanylundecyl thiohypofluorite (PubChem CID 126693297) has the molecular formula C11H23FS2 and a molecular weight of 238.44 g/mol. Its IUPAC name is 11-sulfanylundecyl thiohypofluorite.

Molecular Properties

Compound Name11-sulfanylundecyl thiohypofluorite
PubChem CID126693297
Molecular FormulaC11H23FS2
Molecular Weight238.44 g/mol
Exact Mass238.12
IUPAC Name11-sulfanylundecyl thiohypofluorite
SMILESFSCCCCCCCCCCCS
InChIInChI=1S/C11H23FS2/c12-14-11-9-7-5-3-1-2-4-6-8-10-13/h13H,1-11H2
InChIKeyXQLXLVVNAKRPNZ-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-pentylsulfanylnonane-1-thiol
CID 107766456
6-ethylsulfanylhexane-1-thiol
CID 23423869
octatriacontane-1,38-dithiol
CID 154319638
tetracosane-1,24-dithiol
CID 87293915
22-methylsulfanyldocosane-1-thiol
CID 153338809
nonane-1,9-dithiol;silver
CID 87575502
2-dodecylsulfanylethanethiol
CID 19846581
4-[tris(4-sulfanylbutylsulfanyl)methylsulfanyl]butane-1-thiol
CID 175446478
decane-1-thiol
CID 8917
octadecane-1-thiol;octane-1-thiol
CID 158706451
decane-1-thiol;undecane-1-thiol
CID 174806736
dodecane-1-thiol
CID 8195

Frequently Asked Questions

What is the IUPAC name of 11-sulfanylundecyl thiohypofluorite?
The IUPAC name of 11-sulfanylundecyl thiohypofluorite (CID 126693297) is 11-sulfanylundecyl thiohypofluorite.
What is the SMILES notation for 11-sulfanylundecyl thiohypofluorite?
The canonical SMILES for 11-sulfanylundecyl thiohypofluorite is FSCCCCCCCCCCCS.
What is the InChIKey of 11-sulfanylundecyl thiohypofluorite?
The InChIKey is XQLXLVVNAKRPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FS2/c12-14-11-9-7-5-3-1-2-4-6-8-10-13/h13H,1-11H2.
What are the key properties of 11-sulfanylundecyl thiohypofluorite?
11-sulfanylundecyl thiohypofluorite has a molecular weight of 238.44 g/mol, XLogP of 5.04, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-sulfanylundecyl thiohypofluorite is sourced from PubChem (CID 126693297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).