2-[(E)-diphenylphosphinothioyliminomethyl]-6-methylphenol

C20H18NOPS — CID 137300549

IUPAC2-[(E)-diphenylphosphinothioyliminomethyl]-6-methylphenol
SMILESCc1cccc(/C=N/P(=S)(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C20H18NOPS/c1-16-9-8-10-17(20(16)22)15-21-23(24,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15,22H,1H3/b21-15+
InChIKeyUJAKSLBTLPSQMU-RCCKNPSSSA-N
MW351.41 g/mol
LogP4.17
Rot. Bonds4

About 2-[(E)-diphenylphosphinothioyliminomethyl]-6-methylphenol

2-[(E)-diphenylphosphinothioyliminomethyl]-6-methylphenol (PubChem CID 137300549) has the molecular formula C20H18NOPS and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[(E)-diphenylphosphinothioyliminomethyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(E)-diphenylphosphinothioyliminomethyl]-6-methylphenol
PubChem CID137300549
Molecular FormulaC20H18NOPS
Molecular Weight351.41 g/mol
Exact Mass351.08
IUPAC Name2-[(E)-diphenylphosphinothioyliminomethyl]-6-methylphenol
SMILESCc1cccc(/C=N/P(=S)(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C20H18NOPS/c1-16-9-8-10-17(20(16)22)15-21-23(24,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15,22H,1H3/b21-15+
InChIKeyUJAKSLBTLPSQMU-RCCKNPSSSA-N
XLogP4.17
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol
CID 135997411
dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol
CID 174611638
carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135967147
2-methyl-6-[(E)-2-phenylethenyl]phenol
CID 22713146
2-hydroxy-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135533066
methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate
CID 135578391
4-[[(2-hydroxy-3-methylphenyl)methylideneamino]carbamothioylamino]benzoic acid
CID 136601679
4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide
CID 135458900
2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 135590182
2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol
CID 135967228
dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol
CID 135997406
2-methyl-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 137099417

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-diphenylphosphinothioyliminomethyl]-6-methylphenol?
The IUPAC name of 2-[(E)-diphenylphosphinothioyliminomethyl]-6-methylphenol (CID 137300549) is 2-[(E)-diphenylphosphinothioyliminomethyl]-6-methylphenol.
What is the SMILES notation for 2-[(E)-diphenylphosphinothioyliminomethyl]-6-methylphenol?
The canonical SMILES for 2-[(E)-diphenylphosphinothioyliminomethyl]-6-methylphenol is Cc1cccc(/C=N/P(=S)(c2ccccc2)c2ccccc2)c1O.
What is the InChIKey of 2-[(E)-diphenylphosphinothioyliminomethyl]-6-methylphenol?
The InChIKey is UJAKSLBTLPSQMU-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H18NOPS/c1-16-9-8-10-17(20(16)22)15-21-23(24,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15,22H,1H3/b21-15+.
What are the key properties of 2-[(E)-diphenylphosphinothioyliminomethyl]-6-methylphenol?
2-[(E)-diphenylphosphinothioyliminomethyl]-6-methylphenol has a molecular weight of 351.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-diphenylphosphinothioyliminomethyl]-6-methylphenol is sourced from PubChem (CID 137300549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).