N,N-diethylthiohydroxylamine;pyridine;trihydrofluoride

C9H19F3N2S — CID 173375506

IUPACN,N-diethylthiohydroxylamine;pyridine;trihydrofluoride
SMILESCCN(S)CC.F.F.F.c1ccncc1
InChIInChI=1S/C5H5N.C4H11NS.3FH/c1-2-4-6-5-3-1;1-3-5(6)4-2;;;/h1-5H;6H,3-4H2,1-2H3;3*1H
InChIKeyIDZMTVYYXAHYCP-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.71
Rot. Bonds2

About N,N-diethylthiohydroxylamine;pyridine;trihydrofluoride

N,N-diethylthiohydroxylamine;pyridine;trihydrofluoride (PubChem CID 173375506) has the molecular formula C9H19F3N2S and a molecular weight of 244.33 g/mol. Its IUPAC name is N,N-diethylthiohydroxylamine;pyridine;trihydrofluoride.

Molecular Properties

Compound NameN,N-diethylthiohydroxylamine;pyridine;trihydrofluoride
PubChem CID173375506
Molecular FormulaC9H19F3N2S
Molecular Weight244.33 g/mol
Exact Mass244.12
IUPAC NameN,N-diethylthiohydroxylamine;pyridine;trihydrofluoride
SMILESCCN(S)CC.F.F.F.c1ccncc1
InChIInChI=1S/C5H5N.C4H11NS.3FH/c1-2-4-6-5-3-1;1-3-5(6)4-2;;;/h1-5H;6H,3-4H2,1-2H3;3*1H
InChIKeyIDZMTVYYXAHYCP-UHFFFAOYSA-N
XLogP2.71
TPSA16.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylthiohydroxylamine;pyridine;trihydrofluoride?
The IUPAC name of N,N-diethylthiohydroxylamine;pyridine;trihydrofluoride (CID 173375506) is N,N-diethylthiohydroxylamine;pyridine;trihydrofluoride.
What is the SMILES notation for N,N-diethylthiohydroxylamine;pyridine;trihydrofluoride?
The canonical SMILES for N,N-diethylthiohydroxylamine;pyridine;trihydrofluoride is CCN(S)CC.F.F.F.c1ccncc1.
What is the InChIKey of N,N-diethylthiohydroxylamine;pyridine;trihydrofluoride?
The InChIKey is IDZMTVYYXAHYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H11NS.3FH/c1-2-4-6-5-3-1;1-3-5(6)4-2;;;/h1-5H;6H,3-4H2,1-2H3;3*1H.
What are the key properties of N,N-diethylthiohydroxylamine;pyridine;trihydrofluoride?
N,N-diethylthiohydroxylamine;pyridine;trihydrofluoride has a molecular weight of 244.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylthiohydroxylamine;pyridine;trihydrofluoride is sourced from PubChem (CID 173375506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).