dibenzylazanium;difluoro-sulfanylidene-sulfido-λ5-phosphane

C14H16F2NPS2 — CID 18529115

IUPACdibenzylazanium;difluoro-sulfanylidene-sulfido-λ5-phosphane
SMILESFP(F)(=S)[S-].c1ccc(C[NH2+]Cc2ccccc2)cc1
InChIInChI=1S/C14H15N.F2HPS2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-3(2,4)5/h1-10,15H,11-12H2;(H,4,5)
InChIKeyUDIBYOUYNXOBHJ-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.65
Rot. Bonds4

About dibenzylazanium;difluoro-sulfanylidene-sulfido-λ5-phosphane

dibenzylazanium;difluoro-sulfanylidene-sulfido-λ5-phosphane (PubChem CID 18529115) has the molecular formula C14H16F2NPS2 and a molecular weight of 331.39 g/mol. Its IUPAC name is dibenzylazanium;difluoro-sulfanylidene-sulfido-λ5-phosphane.

Molecular Properties

Compound Namedibenzylazanium;difluoro-sulfanylidene-sulfido-λ5-phosphane
PubChem CID18529115
Molecular FormulaC14H16F2NPS2
Molecular Weight331.39 g/mol
Exact Mass331.04
IUPAC Namedibenzylazanium;difluoro-sulfanylidene-sulfido-λ5-phosphane
SMILESFP(F)(=S)[S-].c1ccc(C[NH2+]Cc2ccccc2)cc1
InChIInChI=1S/C14H15N.F2HPS2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-3(2,4)5/h1-10,15H,11-12H2;(H,4,5)
InChIKeyUDIBYOUYNXOBHJ-UHFFFAOYSA-N
XLogP3.65
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

dibenzylazanium iodide
CID 15533239
benzyl-[(4-ethylphenyl)methyl]azanium
CID 7994180
benzyl-[[4-[3,5-bis[4-[(benzylazaniumyl)methyl]phenyl]phenyl]phenyl]methyl]azanium
CID 101337215
zinc bis(bis(phenylmethoxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 87069687
benzyl(butyl)azanium fluoride
CID 161148971
benzyl-[2-(benzylamino)ethyl]azanium
CID 3553946
benzyl(phenyl)azanium bromide
CID 173449870
2-(benzylazaniumyl)ethyl-diethylazanium
CID 6993599
benzyl(pent-2-enyl)azanium hydroxide
CID 139905470
dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane
CID 58637364
benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium
CID 8622876
difluoromethyl-bis(phenylmethoxy)-sulfanylidene-lambda5-phosphane
CID 15273575

Frequently Asked Questions

What is the IUPAC name of dibenzylazanium;difluoro-sulfanylidene-sulfido-λ5-phosphane?
The IUPAC name of dibenzylazanium;difluoro-sulfanylidene-sulfido-λ5-phosphane (CID 18529115) is dibenzylazanium;difluoro-sulfanylidene-sulfido-λ5-phosphane.
What is the SMILES notation for dibenzylazanium;difluoro-sulfanylidene-sulfido-λ5-phosphane?
The canonical SMILES for dibenzylazanium;difluoro-sulfanylidene-sulfido-λ5-phosphane is FP(F)(=S)[S-].c1ccc(C[NH2+]Cc2ccccc2)cc1.
What is the InChIKey of dibenzylazanium;difluoro-sulfanylidene-sulfido-λ5-phosphane?
The InChIKey is UDIBYOUYNXOBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.F2HPS2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-3(2,4)5/h1-10,15H,11-12H2;(H,4,5).
What are the key properties of dibenzylazanium;difluoro-sulfanylidene-sulfido-λ5-phosphane?
dibenzylazanium;difluoro-sulfanylidene-sulfido-λ5-phosphane has a molecular weight of 331.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzylazanium;difluoro-sulfanylidene-sulfido-λ5-phosphane is sourced from PubChem (CID 18529115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).