isocyanic acid;triphenoxy(sulfanylidene)-λ5-phosphane

C19H16NO4PS — CID 172773715

IUPACisocyanic acid;triphenoxy(sulfanylidene)-λ5-phosphane
SMILESN=C=O.S=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H15O3PS.CHNO/c23-22(19-16-10-4-1-5-11-16,20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;2-1-3/h1-15H;2H
InChIKeyNHNSSGSIAOTLKL-UHFFFAOYSA-N
MW385.38 g/mol
LogP5.35
Rot. Bonds6

About isocyanic acid;triphenoxy(sulfanylidene)-λ5-phosphane

isocyanic acid;triphenoxy(sulfanylidene)-λ5-phosphane (PubChem CID 172773715) has the molecular formula C19H16NO4PS and a molecular weight of 385.38 g/mol. Its IUPAC name is isocyanic acid;triphenoxy(sulfanylidene)-λ5-phosphane.

Molecular Properties

Compound Nameisocyanic acid;triphenoxy(sulfanylidene)-λ5-phosphane
PubChem CID172773715
Molecular FormulaC19H16NO4PS
Molecular Weight385.38 g/mol
Exact Mass385.05
IUPAC Nameisocyanic acid;triphenoxy(sulfanylidene)-λ5-phosphane
SMILESN=C=O.S=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H15O3PS.CHNO/c23-22(19-16-10-4-1-5-11-16,20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;2-1-3/h1-15H;2H
InChIKeyNHNSSGSIAOTLKL-UHFFFAOYSA-N
XLogP5.35
TPSA68.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.38
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

isocyanic acid;phenoxybenzene
CID 174909585
anisole;isocyanic acid
CID 175305824
(3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane
CID 89083431
zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane
CID 18762383
diphenoxy-sulfanylidene-sulfido-λ5-phosphane
CID 3553797
phenoxy-diphenyl-sulfanylidene-lambda5-phosphane
CID 13410918
diphenoxy-sulfanyl-sulfanylidene-λ5-phosphane azide
CID 172686143
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
triphenyl phosphate;hydrate
CID 66881958
dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene
CID 88776379
(Z)-4-diphenoxyphosphinothioyloxypent-3-en-2-one
CID 10043329
(4-nonylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane
CID 140845535

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;triphenoxy(sulfanylidene)-λ5-phosphane?
The IUPAC name of isocyanic acid;triphenoxy(sulfanylidene)-λ5-phosphane (CID 172773715) is isocyanic acid;triphenoxy(sulfanylidene)-λ5-phosphane.
What is the SMILES notation for isocyanic acid;triphenoxy(sulfanylidene)-λ5-phosphane?
The canonical SMILES for isocyanic acid;triphenoxy(sulfanylidene)-λ5-phosphane is N=C=O.S=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of isocyanic acid;triphenoxy(sulfanylidene)-λ5-phosphane?
The InChIKey is NHNSSGSIAOTLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O3PS.CHNO/c23-22(19-16-10-4-1-5-11-16,20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;2-1-3/h1-15H;2H.
What are the key properties of isocyanic acid;triphenoxy(sulfanylidene)-λ5-phosphane?
isocyanic acid;triphenoxy(sulfanylidene)-λ5-phosphane has a molecular weight of 385.38 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;triphenoxy(sulfanylidene)-λ5-phosphane is sourced from PubChem (CID 172773715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).