methyl-phenyl-sulfanylidenephosphanium

C7H8PS+ — CID 59983199

IUPACmethyl-phenyl-sulfanylidenephosphanium
SMILESC[P+](=S)c1ccccc1
InChIInChI=1S/C7H8PS/c1-8(9)7-5-3-2-4-6-7/h2-6H,1H3/q+1
InChIKeyNEUOFTXYTKCRCN-UHFFFAOYSA-N
MW155.18 g/mol
LogP1.89
Rot. Bonds1

About methyl-phenyl-sulfanylidenephosphanium

methyl-phenyl-sulfanylidenephosphanium (PubChem CID 59983199) has the molecular formula C7H8PS+ and a molecular weight of 155.18 g/mol. Its IUPAC name is methyl-phenyl-sulfanylidenephosphanium.

Molecular Properties

Compound Namemethyl-phenyl-sulfanylidenephosphanium
PubChem CID59983199
Molecular FormulaC7H8PS+
Molecular Weight155.18 g/mol
Exact Mass155.01
IUPAC Namemethyl-phenyl-sulfanylidenephosphanium
SMILESC[P+](=S)c1ccccc1
InChIInChI=1S/C7H8PS/c1-8(9)7-5-3-2-4-6-7/h2-6H,1H3/q+1
InChIKeyNEUOFTXYTKCRCN-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;phenyl-sulfanylidene-(4-sulfanylphenyl)phosphanium
CID 91207992
methyl-(2-methylphenyl)-sulfanylidenephosphanium
CID 56633604
ethylidene(diphenyl)phosphanium
CID 88940293
hydroxy-oxo-phenylphosphanium;hydrochloride
CID 172693291
methanol;oxo(diphenyl)phosphanium
CID 174996285
(4-methylphenyl)-phenyl-selanylidenephosphanium
CID 58607713
benzhydryl-methylsulfanyl-sulfanylidenephosphanium
CID 70879703
sodium;hydride;phenoxy-phenyl-sulfanylidenephosphanium
CID 174295420
dimethyl(phenyl)silane;hydrochloride
CID 172741806
cadmium;oxo(diphenyl)phosphanium
CID 174925548
toluene;tetrahydrochloride
CID 174345064
CID 87245758
CID 87245758

Frequently Asked Questions

What is the IUPAC name of methyl-phenyl-sulfanylidenephosphanium?
The IUPAC name of methyl-phenyl-sulfanylidenephosphanium (CID 59983199) is methyl-phenyl-sulfanylidenephosphanium.
What is the SMILES notation for methyl-phenyl-sulfanylidenephosphanium?
The canonical SMILES for methyl-phenyl-sulfanylidenephosphanium is C[P+](=S)c1ccccc1.
What is the InChIKey of methyl-phenyl-sulfanylidenephosphanium?
The InChIKey is NEUOFTXYTKCRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8PS/c1-8(9)7-5-3-2-4-6-7/h2-6H,1H3/q+1.
What are the key properties of methyl-phenyl-sulfanylidenephosphanium?
methyl-phenyl-sulfanylidenephosphanium has a molecular weight of 155.18 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-phenyl-sulfanylidenephosphanium is sourced from PubChem (CID 59983199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).