8-diphenylphosphanylnaphthalene-1-thiol

C22H17PS — CID 58555902

IUPAC8-diphenylphosphanylnaphthalene-1-thiol
SMILESSc1cccc2cccc(P(c3ccccc3)c3ccccc3)c12
InChIInChI=1S/C22H17PS/c24-21-16-8-10-17-9-7-15-20(22(17)21)23(18-11-3-1-4-12-18)19-13-5-2-6-14-19/h1-16,24H
InChIKeyATJMEIDBMRYZCJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.89
Rot. Bonds3

About 8-diphenylphosphanylnaphthalene-1-thiol

8-diphenylphosphanylnaphthalene-1-thiol (PubChem CID 58555902) has the molecular formula C22H17PS and a molecular weight of 344.42 g/mol. Its IUPAC name is 8-diphenylphosphanylnaphthalene-1-thiol.

Molecular Properties

Compound Name8-diphenylphosphanylnaphthalene-1-thiol
PubChem CID58555902
Molecular FormulaC22H17PS
Molecular Weight344.42 g/mol
Exact Mass344.08
IUPAC Name8-diphenylphosphanylnaphthalene-1-thiol
SMILESSc1cccc2cccc(P(c3ccccc3)c3ccccc3)c12
InChIInChI=1S/C22H17PS/c24-21-16-8-10-17-9-7-15-20(22(17)21)23(18-11-3-1-4-12-18)19-13-5-2-6-14-19/h1-16,24H
InChIKeyATJMEIDBMRYZCJ-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-diphenylphosphanylphenanthrene-4-thiol
CID 118404150
8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine
CID 102023770
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
perylen-3-yl(diphenyl)phosphane
CID 91193138
8-aminonaphthalene-1-thiol
CID 12574382
trinaphthalen-1-ylphosphane;triphenylphosphane
CID 158068976
(6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane
CID 11039191
[8-(bromomethyl)naphthalen-1-yl]methyl-(8-diphenylphosphanylnaphthalen-1-yl)-diphenylphosphanium
CID 102203575
CID 158028743
CID 158028743
2-diphenylphosphanyl-8-phenylnaphthalen-1-ol
CID 171398165
bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
CID 87203660
rhodium(3+);nonakis(triphenylphosphane);trichloride
CID 173040367

Frequently Asked Questions

What is the IUPAC name of 8-diphenylphosphanylnaphthalene-1-thiol?
The IUPAC name of 8-diphenylphosphanylnaphthalene-1-thiol (CID 58555902) is 8-diphenylphosphanylnaphthalene-1-thiol.
What is the SMILES notation for 8-diphenylphosphanylnaphthalene-1-thiol?
The canonical SMILES for 8-diphenylphosphanylnaphthalene-1-thiol is Sc1cccc2cccc(P(c3ccccc3)c3ccccc3)c12.
What is the InChIKey of 8-diphenylphosphanylnaphthalene-1-thiol?
The InChIKey is ATJMEIDBMRYZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17PS/c24-21-16-8-10-17-9-7-15-20(22(17)21)23(18-11-3-1-4-12-18)19-13-5-2-6-14-19/h1-16,24H.
What are the key properties of 8-diphenylphosphanylnaphthalene-1-thiol?
8-diphenylphosphanylnaphthalene-1-thiol has a molecular weight of 344.42 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-diphenylphosphanylnaphthalene-1-thiol is sourced from PubChem (CID 58555902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).