1-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2,4,5-trimethoxybenzene

C22H23N2O3PS — CID 6901168

IUPAC1-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2,4,5-trimethoxybenzene
SMILESCOc1cc(OC)c(OC)cc1/C=N/NP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N2O3PS/c1-25-20-15-22(27-3)21(26-2)14-17(20)16-23-24-28(29,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16H,1-3H3,(H,24,29)/b23-16+
InChIKeyUQCZTDOLYJYFST-XQNSMLJCSA-N
MW426.48 g/mol
LogP3.68
Rot. Bonds8

About 1-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2,4,5-trimethoxybenzene

1-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2,4,5-trimethoxybenzene (PubChem CID 6901168) has the molecular formula C22H23N2O3PS and a molecular weight of 426.48 g/mol. Its IUPAC name is 1-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2,4,5-trimethoxybenzene.

Molecular Properties

Compound Name1-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2,4,5-trimethoxybenzene
PubChem CID6901168
Molecular FormulaC22H23N2O3PS
Molecular Weight426.48 g/mol
Exact Mass426.12
IUPAC Name1-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2,4,5-trimethoxybenzene
SMILESCOc1cc(OC)c(OC)cc1/C=N/NP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N2O3PS/c1-25-20-15-22(27-3)21(26-2)14-17(20)16-23-24-28(29,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16H,1-3H3,(H,24,29)/b23-16+
InChIKeyUQCZTDOLYJYFST-XQNSMLJCSA-N
XLogP3.68
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

1-(2-methoxyphenyl)-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 6906457
2-hydroxy-2,2-diphenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 3486286
2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6871464
4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 3501852
[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 7575205
2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 9315527
N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
CID 4212050
2-(2-methylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5456697
N,N'-bis[(2,4,5-trimethoxyphenyl)methylideneamino]octanediamide
CID 3495405
2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110840063
N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6866321
4-methoxy-2,5-bis(phenyliminomethyl)phenol
CID 136671201

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2,4,5-trimethoxybenzene?
The IUPAC name of 1-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2,4,5-trimethoxybenzene (CID 6901168) is 1-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2,4,5-trimethoxybenzene.
What is the SMILES notation for 1-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2,4,5-trimethoxybenzene?
The canonical SMILES for 1-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2,4,5-trimethoxybenzene is COc1cc(OC)c(OC)cc1/C=N/NP(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2,4,5-trimethoxybenzene?
The InChIKey is UQCZTDOLYJYFST-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H23N2O3PS/c1-25-20-15-22(27-3)21(26-2)14-17(20)16-23-24-28(29,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16H,1-3H3,(H,24,29)/b23-16+.
What are the key properties of 1-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2,4,5-trimethoxybenzene?
1-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2,4,5-trimethoxybenzene has a molecular weight of 426.48 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2,4,5-trimethoxybenzene is sourced from PubChem (CID 6901168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).