1-[(2-phenylsulfanylphenyl)iminomethyl]naphthalen-2-ol

C23H17NOS — CID 139201832

IUPAC1-[(2-phenylsulfanylphenyl)iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccccc1Sc1ccccc1
InChIInChI=1S/C23H17NOS/c25-22-15-14-17-8-4-5-11-19(17)20(22)16-24-21-12-6-7-13-23(21)26-18-9-2-1-3-10-18/h1-16,25H/b24-16+
InChIKeyINVIQPFAPMDTFB-LFVJCYFKSA-N
MW355.46 g/mol
LogP6.45
Rot. Bonds4

About 1-[(2-phenylsulfanylphenyl)iminomethyl]naphthalen-2-ol

1-[(2-phenylsulfanylphenyl)iminomethyl]naphthalen-2-ol (PubChem CID 139201832) has the molecular formula C23H17NOS and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-[(2-phenylsulfanylphenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-phenylsulfanylphenyl)iminomethyl]naphthalen-2-ol
PubChem CID139201832
Molecular FormulaC23H17NOS
Molecular Weight355.46 g/mol
Exact Mass355.10
IUPAC Name1-[(2-phenylsulfanylphenyl)iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccccc1Sc1ccccc1
InChIInChI=1S/C23H17NOS/c25-22-15-14-17-8-4-5-11-19(17)20(22)16-24-21-12-6-7-13-23(21)26-18-9-2-1-3-10-18/h1-16,25H/b24-16+
InChIKeyINVIQPFAPMDTFB-LFVJCYFKSA-N
XLogP6.45
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.46
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Hydroxyphenyliminomethyl)-2-naphthol
CID 269970
1-(((2-Hydroxyphenyl)imino)methyl)-2-naphthalenol
CID 85895
1-(Anilinomethylidene)-2-naphthalenone
CID 269969
1-{(E)-[(4-vinylphenyl)imino]methyl}-2-naphthol
CID 4445693
Nsc305935
CID 328192
1-(((4-Iodophenyl)imino)methyl)naphthalen-2-ol
CID 1083504
1-(O-Tolyliminomethyl)-2-naphthol
CID 548604
1-{[(3-Fluoro-4-methylphenyl)imino]methyl}-2-naphthol
CID 707761
1-[[2-(2-Phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol
CID 135800241
1-((3-(2-Phenylpropylthio)phenylimino)methyl)naphthalen-2-ol
CID 135862921
1-[[4-(2-Phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol
CID 136236342
1-(2-Fluorophenyliminomethyl)-2-naphthol
CID 622058

Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenylsulfanylphenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-phenylsulfanylphenyl)iminomethyl]naphthalen-2-ol (CID 139201832) is 1-[(2-phenylsulfanylphenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-phenylsulfanylphenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-phenylsulfanylphenyl)iminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/c1ccccc1Sc1ccccc1.
What is the InChIKey of 1-[(2-phenylsulfanylphenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is INVIQPFAPMDTFB-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H17NOS/c25-22-15-14-17-8-4-5-11-19(17)20(22)16-24-21-12-6-7-13-23(21)26-18-9-2-1-3-10-18/h1-16,25H/b24-16+.
What are the key properties of 1-[(2-phenylsulfanylphenyl)iminomethyl]naphthalen-2-ol?
1-[(2-phenylsulfanylphenyl)iminomethyl]naphthalen-2-ol has a molecular weight of 355.46 g/mol, XLogP of 6.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenylsulfanylphenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 139201832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).