tris(diethylamino)sulfanium;fluoride;hydrofluoride

C12H31F2N3S — CID 23315809

IUPACtris(diethylamino)sulfanium;fluoride;hydrofluoride
SMILESCCN(CC)[S+](N(CC)CC)N(CC)CC.F.[F-]
InChIInChI=1S/C12H30N3S.2FH/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6;;/h7-12H2,1-6H3;2*1H/q+1;;/p-1
InChIKeyFPCAUMSVZWJBFQ-UHFFFAOYSA-M
MW287.46 g/mol
LogP-0.47
Rot. Bonds9

About tris(diethylamino)sulfanium;fluoride;hydrofluoride

tris(diethylamino)sulfanium;fluoride;hydrofluoride (PubChem CID 23315809) has the molecular formula C12H31F2N3S and a molecular weight of 287.46 g/mol. Its IUPAC name is tris(diethylamino)sulfanium;fluoride;hydrofluoride.

Molecular Properties

Compound Nametris(diethylamino)sulfanium;fluoride;hydrofluoride
PubChem CID23315809
Molecular FormulaC12H31F2N3S
Molecular Weight287.46 g/mol
Exact Mass287.22
IUPAC Nametris(diethylamino)sulfanium;fluoride;hydrofluoride
SMILESCCN(CC)[S+](N(CC)CC)N(CC)CC.F.[F-]
InChIInChI=1S/C12H30N3S.2FH/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6;;/h7-12H2,1-6H3;2*1H/q+1;;/p-1
InChIKeyFPCAUMSVZWJBFQ-UHFFFAOYSA-M
XLogP-0.47
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.46
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(diethylamino)sulfanium;fluoride;hydrofluoride?
The IUPAC name of tris(diethylamino)sulfanium;fluoride;hydrofluoride (CID 23315809) is tris(diethylamino)sulfanium;fluoride;hydrofluoride.
What is the SMILES notation for tris(diethylamino)sulfanium;fluoride;hydrofluoride?
The canonical SMILES for tris(diethylamino)sulfanium;fluoride;hydrofluoride is CCN(CC)[S+](N(CC)CC)N(CC)CC.F.[F-].
What is the InChIKey of tris(diethylamino)sulfanium;fluoride;hydrofluoride?
The InChIKey is FPCAUMSVZWJBFQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H30N3S.2FH/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6;;/h7-12H2,1-6H3;2*1H/q+1;;/p-1.
What are the key properties of tris(diethylamino)sulfanium;fluoride;hydrofluoride?
tris(diethylamino)sulfanium;fluoride;hydrofluoride has a molecular weight of 287.46 g/mol, XLogP of -0.47, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(diethylamino)sulfanium;fluoride;hydrofluoride is sourced from PubChem (CID 23315809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).