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

C19H17N2O2PS — CID 135501981

IUPAC4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/NP(=S)(c2ccccc2)c2ccccc2)cc1O
InChIInChI=1S/C19H17N2O2PS/c22-18-12-11-15(13-19(18)23)14-20-21-24(25,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22-23H,(H,21,25)/b20-14+
InChIKeyHCBXGRLYDXWBAC-XSFVSMFZSA-N
MW368.40 g/mol
LogP3.07
Rot. Bonds5

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

4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2-diol (PubChem CID 135501981) has the molecular formula C19H17N2O2PS and a molecular weight of 368.40 g/mol. Its IUPAC name is 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2-diol
PubChem CID135501981
Molecular FormulaC19H17N2O2PS
Molecular Weight368.40 g/mol
Exact Mass368.07
IUPAC Name4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/NP(=S)(c2ccccc2)c2ccccc2)cc1O
InChIInChI=1S/C19H17N2O2PS/c22-18-12-11-15(13-19(18)23)14-20-21-24(25,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22-23H,(H,21,25)/b20-14+
InChIKeyHCBXGRLYDXWBAC-XSFVSMFZSA-N
XLogP3.07
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4Z)-2-hydroxy-4-[[2-[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one
CID 135421639
(6E)-2-hydroxy-6-[[2-[(E)-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
CID 135452530
2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol
CID 135519938
3-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol
CID 6902332
(4E)-4-[(2-diphenylphosphinothioylhydrazinyl)methylidene]-2,3-dihydroxycyclohexa-2,5-dien-1-one
CID 135501965
4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol
CID 135501969
4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-methoxyphenol
CID 135512426
3-[[(2,3-Dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol
CID 330333
4-[[(3,4-Dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol
CID 336731
3,4-Dihydroxybenzaldehyde guanylhydrazone
CID 416733
3-[(E)-[[[[(E)-(3-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol
CID 14963277
3,4-Dihydroxybenzaldehyde thiosemicarbazone
CID 139074747

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2-diol?
The IUPAC name of 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2-diol (CID 135501981) is 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2-diol is Oc1ccc(/C=N/NP(=S)(c2ccccc2)c2ccccc2)cc1O.
What is the InChIKey of 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2-diol?
The InChIKey is HCBXGRLYDXWBAC-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H17N2O2PS/c22-18-12-11-15(13-19(18)23)14-20-21-24(25,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22-23H,(H,21,25)/b20-14+.
What are the key properties of 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2-diol?
4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2-diol has a molecular weight of 368.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene-1,2-diol is sourced from PubChem (CID 135501981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).