2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol

C19H17N2OPS — CID 135519938

IUPAC2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol
SMILESOc1ccccc1/C=N/NP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N2OPS/c22-19-14-8-7-9-16(19)15-20-21-23(24,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15,22H,(H,21,24)/b20-15+
InChIKeySFWXPPPFRQOINI-HMMYKYKNSA-N
MW352.40 g/mol
LogP3.36
Rot. Bonds5

About 2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol

2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol (PubChem CID 135519938) has the molecular formula C19H17N2OPS and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol
PubChem CID135519938
Molecular FormulaC19H17N2OPS
Molecular Weight352.40 g/mol
Exact Mass352.08
IUPAC Name2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol
SMILESOc1ccccc1/C=N/NP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N2OPS/c22-19-14-8-7-9-16(19)15-20-21-23(24,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15,22H,(H,21,24)/b20-15+
InChIKeySFWXPPPFRQOINI-HMMYKYKNSA-N
XLogP3.36
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol (CID 135519938) is 2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol is Oc1ccccc1/C=N/NP(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol?
The InChIKey is SFWXPPPFRQOINI-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H17N2OPS/c22-19-14-8-7-9-16(19)15-20-21-23(24,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15,22H,(H,21,24)/b20-15+.
What are the key properties of 2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol?
2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol has a molecular weight of 352.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135519938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).