N,N-diethylthiohydroxylamine;tetrafluoroborate;dihydrofluoride

C4H13BF6NS- — CID 175400657

IUPACN,N-diethylthiohydroxylamine;tetrafluoroborate;dihydrofluoride
SMILESCCN(S)CC.F.F.F[B-](F)(F)F
InChIInChI=1S/C4H11NS.BF4.2FH/c1-3-5(6)4-2;2-1(3,4)5;;/h6H,3-4H2,1-2H3;;2*1H/q;-1;;
InChIKeyAWMFZPBLLWOCTQ-UHFFFAOYSA-N
MW232.02 g/mol
LogP2.78
Rot. Bonds2

About N,N-diethylthiohydroxylamine;tetrafluoroborate;dihydrofluoride

N,N-diethylthiohydroxylamine;tetrafluoroborate;dihydrofluoride (PubChem CID 175400657) has the molecular formula C4H13BF6NS- and a molecular weight of 232.02 g/mol. Its IUPAC name is N,N-diethylthiohydroxylamine;tetrafluoroborate;dihydrofluoride.

Molecular Properties

Compound NameN,N-diethylthiohydroxylamine;tetrafluoroborate;dihydrofluoride
PubChem CID175400657
Molecular FormulaC4H13BF6NS-
Molecular Weight232.02 g/mol
Exact Mass232.08
IUPAC NameN,N-diethylthiohydroxylamine;tetrafluoroborate;dihydrofluoride
SMILESCCN(S)CC.F.F.F[B-](F)(F)F
InChIInChI=1S/C4H11NS.BF4.2FH/c1-3-5(6)4-2;2-1(3,4)5;;/h6H,3-4H2,1-2H3;;2*1H/q;-1;;
InChIKeyAWMFZPBLLWOCTQ-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.02
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylthiohydroxylamine;pyridine;trihydrofluoride
CID 173375506
CID 16557825
CID 16557825
tetrakis(diethylamino)phosphanium tetrafluoroborate
CID 15443114
tris(N,N-dipropylthiohydroxylamine);trihydrofluoride
CID 173050625
2-[ethyl(sulfanyl)amino]acetic acid
CID 22364290
calcium;hydride;tetrafluoroborate
CID 172996064
ethyl(dimethyl)azanium tetrafluoroborate
CID 174821443
triethylsulfanium tetrafluoroborate
CID 3083564
bis[[tris(diethylamino)-lambda5-phosphanylidene]amino]phosphanium tetrafluoroborate
CID 13303697
diethylaminosulfanium;bis(diethylamino thiohypofluorite);tetrafluoroborate
CID 141472029
ethane;tetraethylazanium;octatetrafluoroborate
CID 173127151
hydron;triethyl(methyl)azanium;tetrafluoroborate
CID 87302670

Frequently Asked Questions

What is the IUPAC name of N,N-diethylthiohydroxylamine;tetrafluoroborate;dihydrofluoride?
The IUPAC name of N,N-diethylthiohydroxylamine;tetrafluoroborate;dihydrofluoride (CID 175400657) is N,N-diethylthiohydroxylamine;tetrafluoroborate;dihydrofluoride.
What is the SMILES notation for N,N-diethylthiohydroxylamine;tetrafluoroborate;dihydrofluoride?
The canonical SMILES for N,N-diethylthiohydroxylamine;tetrafluoroborate;dihydrofluoride is CCN(S)CC.F.F.F[B-](F)(F)F.
What is the InChIKey of N,N-diethylthiohydroxylamine;tetrafluoroborate;dihydrofluoride?
The InChIKey is AWMFZPBLLWOCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS.BF4.2FH/c1-3-5(6)4-2;2-1(3,4)5;;/h6H,3-4H2,1-2H3;;2*1H/q;-1;;.
What are the key properties of N,N-diethylthiohydroxylamine;tetrafluoroborate;dihydrofluoride?
N,N-diethylthiohydroxylamine;tetrafluoroborate;dihydrofluoride has a molecular weight of 232.02 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylthiohydroxylamine;tetrafluoroborate;dihydrofluoride is sourced from PubChem (CID 175400657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).