diethylaminosulfanium;bis(diethylamino thiohypofluorite);tetrafluoroborate

C12H32BF6N3S3 — CID 141472029

IUPACdiethylaminosulfanium;bis(diethylamino thiohypofluorite);tetrafluoroborate
SMILESCCN(CC)SF.CCN(CC)SF.CCN([SH2+])CC.F[B-](F)(F)F
InChIInChI=1S/2C4H10FNS.C4H11NS.BF4/c2*1-3-6(4-2)7-5;1-3-5(6)4-2;2-1(3,4)5/h2*3-4H2,1-2H3;6H,3-4H2,1-2H3;/q;;;-1/p+1
InChIKeyUQLIHEBUAACKGR-UHFFFAOYSA-O
MW439.41 g/mol
LogP5.28
Rot. Bonds8

About diethylaminosulfanium;bis(diethylamino thiohypofluorite);tetrafluoroborate

diethylaminosulfanium;bis(diethylamino thiohypofluorite);tetrafluoroborate (PubChem CID 141472029) has the molecular formula C12H32BF6N3S3 and a molecular weight of 439.41 g/mol. Its IUPAC name is diethylaminosulfanium;bis(diethylamino thiohypofluorite);tetrafluoroborate.

Molecular Properties

Compound Namediethylaminosulfanium;bis(diethylamino thiohypofluorite);tetrafluoroborate
PubChem CID141472029
Molecular FormulaC12H32BF6N3S3
Molecular Weight439.41 g/mol
Exact Mass439.18
IUPAC Namediethylaminosulfanium;bis(diethylamino thiohypofluorite);tetrafluoroborate
SMILESCCN(CC)SF.CCN(CC)SF.CCN([SH2+])CC.F[B-](F)(F)F
InChIInChI=1S/2C4H10FNS.C4H11NS.BF4/c2*1-3-6(4-2)7-5;1-3-5(6)4-2;2-1(3,4)5/h2*3-4H2,1-2H3;6H,3-4H2,1-2H3;/q;;;-1/p+1
InChIKeyUQLIHEBUAACKGR-UHFFFAOYSA-O
XLogP5.28
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.41
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylthiohydroxylamine;tetrafluoroborate;dihydrofluoride
CID 175400657
bromo(trifluoro)boranuide;triethyl(methyl)azanium
CID 140836561
CID 16557825
CID 16557825
tetrakis(diethylamino)phosphanium tetrafluoroborate
CID 15443114
ethane;N-ethyl-N-methylsulfanylethanamine
CID 143371235
ethane;tetraethylazanium;octatetrafluoroborate
CID 173127151
N-(disulfanyl)-N-ethylethanamine
CID 129302032
hydron;triethyl(methyl)azanium;tetrafluoroborate
CID 87302670
butane;N-(diethylaminodisulfanyl)-N-ethylethanamine;hydrochloride
CID 21146152
N-ethyl-N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]sulfanylethanamine
CID 23272735
bis(N-(dimethylaminosulfanyl)-N-ethylethanamine);dihydrofluoride
CID 173208577
N-(chloromethylsulfanyl)-N-ethylethanamine
CID 12607780

Frequently Asked Questions

What is the IUPAC name of diethylaminosulfanium;bis(diethylamino thiohypofluorite);tetrafluoroborate?
The IUPAC name of diethylaminosulfanium;bis(diethylamino thiohypofluorite);tetrafluoroborate (CID 141472029) is diethylaminosulfanium;bis(diethylamino thiohypofluorite);tetrafluoroborate.
What is the SMILES notation for diethylaminosulfanium;bis(diethylamino thiohypofluorite);tetrafluoroborate?
The canonical SMILES for diethylaminosulfanium;bis(diethylamino thiohypofluorite);tetrafluoroborate is CCN(CC)SF.CCN(CC)SF.CCN([SH2+])CC.F[B-](F)(F)F.
What is the InChIKey of diethylaminosulfanium;bis(diethylamino thiohypofluorite);tetrafluoroborate?
The InChIKey is UQLIHEBUAACKGR-UHFFFAOYSA-O. The full InChI is InChI=1S/2C4H10FNS.C4H11NS.BF4/c2*1-3-6(4-2)7-5;1-3-5(6)4-2;2-1(3,4)5/h2*3-4H2,1-2H3;6H,3-4H2,1-2H3;/q;;;-1/p+1.
What are the key properties of diethylaminosulfanium;bis(diethylamino thiohypofluorite);tetrafluoroborate?
diethylaminosulfanium;bis(diethylamino thiohypofluorite);tetrafluoroborate has a molecular weight of 439.41 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethylaminosulfanium;bis(diethylamino thiohypofluorite);tetrafluoroborate is sourced from PubChem (CID 141472029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).