3-[(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylphenol

C19H15NO2S — CID 136617930

IUPAC3-[(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylphenol
SMILESOc1ccccc1/C=N/c1cccc(O)c1Sc1ccccc1
InChIInChI=1S/C19H15NO2S/c21-17-11-5-4-7-14(17)13-20-16-10-6-12-18(22)19(16)23-15-8-2-1-3-9-15/h1-13,21-22H/b20-13+
InChIKeyHAGBCMSMSHNXHS-DEDYPNTBSA-N
MW321.40 g/mol
LogP5.00
Rot. Bonds4

About 3-[(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylphenol

3-[(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylphenol (PubChem CID 136617930) has the molecular formula C19H15NO2S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylphenol.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylphenol
PubChem CID136617930
Molecular FormulaC19H15NO2S
Molecular Weight321.40 g/mol
Exact Mass321.08
IUPAC Name3-[(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylphenol
SMILESOc1ccccc1/C=N/c1cccc(O)c1Sc1ccccc1
InChIInChI=1S/C19H15NO2S/c21-17-11-5-4-7-14(17)13-20-16-10-6-12-18(22)19(16)23-15-8-2-1-3-9-15/h1-13,21-22H/b20-13+
InChIKeyHAGBCMSMSHNXHS-DEDYPNTBSA-N
XLogP5.00
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
2-[(2-hydroxyphenyl)methylideneamino]-6-phenylphenol
CID 136888505
2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride
CID 175288392
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol
CID 1105722
2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol
CID 3742462
2-[(E)-fluoroiminomethyl]phenol
CID 137273576
2-[(2-fluorophenyl)methylideneamino]phenol
CID 677307
2-[(2-methylphenyl)methylideneamino]phenol
CID 11009223

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylphenol?
The IUPAC name of 3-[(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylphenol (CID 136617930) is 3-[(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylphenol.
What is the SMILES notation for 3-[(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylphenol?
The canonical SMILES for 3-[(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylphenol is Oc1ccccc1/C=N/c1cccc(O)c1Sc1ccccc1.
What is the InChIKey of 3-[(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylphenol?
The InChIKey is HAGBCMSMSHNXHS-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H15NO2S/c21-17-11-5-4-7-14(17)13-20-16-10-6-12-18(22)19(16)23-15-8-2-1-3-9-15/h1-13,21-22H/b20-13+.
What are the key properties of 3-[(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylphenol?
3-[(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylphenol has a molecular weight of 321.40 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylphenol is sourced from PubChem (CID 136617930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).