tris(N,N-dipropylthiohydroxylamine);trihydrofluoride

C18H48F3N3S3 — CID 173050625

IUPACtris(N,N-dipropylthiohydroxylamine);trihydrofluoride
SMILESCCCN(S)CCC.CCCN(S)CCC.CCCN(S)CCC.F.F.F
InChIInChI=1S/3C6H15NS.3FH/c3*1-3-5-7(8)6-4-2;;;/h3*8H,3-6H2,1-2H3;3*1H
InChIKeyJPRNGRDUCSVTKF-UHFFFAOYSA-N
MW459.80 g/mol
LogP6.32
Rot. Bonds12

About tris(N,N-dipropylthiohydroxylamine);trihydrofluoride

tris(N,N-dipropylthiohydroxylamine);trihydrofluoride (PubChem CID 173050625) has the molecular formula C18H48F3N3S3 and a molecular weight of 459.80 g/mol. Its IUPAC name is tris(N,N-dipropylthiohydroxylamine);trihydrofluoride.

Molecular Properties

Compound Nametris(N,N-dipropylthiohydroxylamine);trihydrofluoride
PubChem CID173050625
Molecular FormulaC18H48F3N3S3
Molecular Weight459.80 g/mol
Exact Mass459.30
IUPAC Nametris(N,N-dipropylthiohydroxylamine);trihydrofluoride
SMILESCCCN(S)CCC.CCCN(S)CCC.CCCN(S)CCC.F.F.F
InChIInChI=1S/3C6H15NS.3FH/c3*1-3-5-7(8)6-4-2;;;/h3*8H,3-6H2,1-2H3;3*1H
InChIKeyJPRNGRDUCSVTKF-UHFFFAOYSA-N
XLogP6.32
TPSA9.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.80
LogP ≤ 56.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylbutan-2-yl)-N-propylthiohydroxylamine
CID 87241132
N,N-dipropylpropan-1-amine;pentahydrochloride
CID 172789957
Tripropylamineborane
CID 21315686
N,N-dipropylpropan-1-amine;propane
CID 174574210
N,N-diethylthiohydroxylamine;tetrafluoroborate;dihydrofluoride
CID 175400657
N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
butane;octahydrofluoride
CID 173254735
(1,2-13C2)ethanethiol
CID 169439901
butane;pentahydrofluoride
CID 158827877
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
sodium;N,N-dipropylpropan-1-amine;chloride
CID 175189857
N-butyl-N-(2-methylpropyl)thiohydroxylamine
CID 155330596

Frequently Asked Questions

What is the IUPAC name of tris(N,N-dipropylthiohydroxylamine);trihydrofluoride?
The IUPAC name of tris(N,N-dipropylthiohydroxylamine);trihydrofluoride (CID 173050625) is tris(N,N-dipropylthiohydroxylamine);trihydrofluoride.
What is the SMILES notation for tris(N,N-dipropylthiohydroxylamine);trihydrofluoride?
The canonical SMILES for tris(N,N-dipropylthiohydroxylamine);trihydrofluoride is CCCN(S)CCC.CCCN(S)CCC.CCCN(S)CCC.F.F.F.
What is the InChIKey of tris(N,N-dipropylthiohydroxylamine);trihydrofluoride?
The InChIKey is JPRNGRDUCSVTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H15NS.3FH/c3*1-3-5-7(8)6-4-2;;;/h3*8H,3-6H2,1-2H3;3*1H.
What are the key properties of tris(N,N-dipropylthiohydroxylamine);trihydrofluoride?
tris(N,N-dipropylthiohydroxylamine);trihydrofluoride has a molecular weight of 459.80 g/mol, XLogP of 6.32, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(N,N-dipropylthiohydroxylamine);trihydrofluoride is sourced from PubChem (CID 173050625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).