4-[(E)-[(dimethyl-λ4-sulfanylidene)phosphanyl-methylhydrazinylidene]methyl]phenol

C10H15N2OPS — CID 137100959

IUPAC4-[(E)-[(dimethyl-λ4-sulfanylidene)phosphanyl-methylhydrazinylidene]methyl]phenol
SMILESCN(/N=C/c1ccc(O)cc1)P=S(C)C
InChIInChI=1S/C10H15N2OPS/c1-12(14-15(2)3)11-8-9-4-6-10(13)7-5-9/h4-8,13H,1-3H3/b11-8+
InChIKeyWKNBNNZIGRGAPB-DHZHZOJOSA-N
MW242.28 g/mol
LogP2.31
Rot. Bonds3

About 4-[(E)-[(dimethyl-λ4-sulfanylidene)phosphanyl-methylhydrazinylidene]methyl]phenol

4-[(E)-[(dimethyl-λ4-sulfanylidene)phosphanyl-methylhydrazinylidene]methyl]phenol (PubChem CID 137100959) has the molecular formula C10H15N2OPS and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-[(E)-[(dimethyl-λ4-sulfanylidene)phosphanyl-methylhydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[(dimethyl-λ4-sulfanylidene)phosphanyl-methylhydrazinylidene]methyl]phenol
PubChem CID137100959
Molecular FormulaC10H15N2OPS
Molecular Weight242.28 g/mol
Exact Mass242.06
IUPAC Name4-[(E)-[(dimethyl-λ4-sulfanylidene)phosphanyl-methylhydrazinylidene]methyl]phenol
SMILESCN(/N=C/c1ccc(O)cc1)P=S(C)C
InChIInChI=1S/C10H15N2OPS/c1-12(14-15(2)3)11-8-9-4-6-10(13)7-5-9/h4-8,13H,1-3H3/b11-8+
InChIKeyWKNBNNZIGRGAPB-DHZHZOJOSA-N
XLogP2.31
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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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Related Compounds

4-[(E)-[methyl(phosphanyl)hydrazinylidene]methyl]phenol
CID 138483443
1-[(E)-(4-hydroxyphenyl)methylideneamino]-1-methylurea
CID 137257545
4-[(E)-[methyl(propyl)hydrazinylidene]methyl]phenol
CID 145321188
4-[(E)-prop-2-ynoxyiminomethyl]phenol
CID 137274237
4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol
CID 139207565
4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-diol
CID 136786732
4-[(E)-[2-(3-methoxy-3-methylbutoxy)ethyl-methylhydrazinylidene]methyl]phenol
CID 137208666
4-[(E)-(dibenzylhydrazinylidene)methyl]phenol
CID 135409477
N-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 136614195
4-[[(4-fluorophenyl)methylidenehydrazinylidene]methyl]phenol
CID 136628037
4-[(dimethylhydrazinylidene)methyl]aniline
CID 123147068
4-[[2-[(4-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 135633900

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(dimethyl-λ4-sulfanylidene)phosphanyl-methylhydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[(dimethyl-λ4-sulfanylidene)phosphanyl-methylhydrazinylidene]methyl]phenol (CID 137100959) is 4-[(E)-[(dimethyl-λ4-sulfanylidene)phosphanyl-methylhydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[(dimethyl-λ4-sulfanylidene)phosphanyl-methylhydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[(dimethyl-λ4-sulfanylidene)phosphanyl-methylhydrazinylidene]methyl]phenol is CN(/N=C/c1ccc(O)cc1)P=S(C)C.
What is the InChIKey of 4-[(E)-[(dimethyl-λ4-sulfanylidene)phosphanyl-methylhydrazinylidene]methyl]phenol?
The InChIKey is WKNBNNZIGRGAPB-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H15N2OPS/c1-12(14-15(2)3)11-8-9-4-6-10(13)7-5-9/h4-8,13H,1-3H3/b11-8+.
What are the key properties of 4-[(E)-[(dimethyl-λ4-sulfanylidene)phosphanyl-methylhydrazinylidene]methyl]phenol?
4-[(E)-[(dimethyl-λ4-sulfanylidene)phosphanyl-methylhydrazinylidene]methyl]phenol has a molecular weight of 242.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(dimethyl-λ4-sulfanylidene)phosphanyl-methylhydrazinylidene]methyl]phenol is sourced from PubChem (CID 137100959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).