4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2,3-triol

C19H17N2O3PS — CID 135501965

IUPAC4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2,3-triol
SMILESOc1ccc(/C=N/NP(=S)(c2ccccc2)c2ccccc2)c(O)c1O
InChIInChI=1S/C19H17N2O3PS/c22-17-12-11-14(18(23)19(17)24)13-20-21-25(26,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,22-24H,(H,21,26)/b20-13+
InChIKeyQGDHKQMZPUEQRB-DEDYPNTBSA-N
MW384.40 g/mol
LogP2.77
Rot. Bonds5

About 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2,3-triol

4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2,3-triol (PubChem CID 135501965) has the molecular formula C19H17N2O3PS and a molecular weight of 384.40 g/mol. Its IUPAC name is 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2,3-triol.

Molecular Properties

Compound Name4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2,3-triol
PubChem CID135501965
Molecular FormulaC19H17N2O3PS
Molecular Weight384.40 g/mol
Exact Mass384.07
IUPAC Name4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2,3-triol
SMILESOc1ccc(/C=N/NP(=S)(c2ccccc2)c2ccccc2)c(O)c1O
InChIInChI=1S/C19H17N2O3PS/c22-17-12-11-14(18(23)19(17)24)13-20-21-25(26,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,22-24H,(H,21,26)/b20-13+
InChIKeyQGDHKQMZPUEQRB-DEDYPNTBSA-N
XLogP2.77
TPSA85.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-[(2-benzhydrylidenehydrazinyl)methylidene]-2,3-dihydroxycyclohexa-2,5-dien-1-one
CID 135521596
(4Z)-4-[(2-diphenylphosphinothioylhydrazinyl)methylidene]-2-hydroxycyclohexa-2,5-dien-1-one
CID 135501981
2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol
CID 135519938
4-[(E)-N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]benzene-1,3-diol
CID 135676253
3-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol
CID 6902332
1,2-bis[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]guanidine
CID 136932710
bis(2,3,4-trihydroxybenzaldoxyimato)copper(II)
CID 135497099
bis[(Z)-oxido-[(2,3,4-trihydroxyphenyl)methylene]ammonio]copper
CID 135484764
1,2-bis[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]guanidine
CID 172918104
1-(2,3,4-Trihydroxybenzylidene)thiosemicarbazide
CID 139078989
4-[2-[Bis[2-[(2,3,4-trihydroxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]benzene-1,2,3-triol
CID 164680242
4,4'-((1e,1'e)-(Ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene))bis(benzene-1,2,3-triol)
CID 172914437

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2,3-triol?
The IUPAC name of 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2,3-triol (CID 135501965) is 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2,3-triol.
What is the SMILES notation for 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2,3-triol?
The canonical SMILES for 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2,3-triol is Oc1ccc(/C=N/NP(=S)(c2ccccc2)c2ccccc2)c(O)c1O.
What is the InChIKey of 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2,3-triol?
The InChIKey is QGDHKQMZPUEQRB-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H17N2O3PS/c22-17-12-11-14(18(23)19(17)24)13-20-21-25(26,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,22-24H,(H,21,26)/b20-13+.
What are the key properties of 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2,3-triol?
4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2,3-triol has a molecular weight of 384.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2,3-triol is sourced from PubChem (CID 135501965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).