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

C18H15NOS — CID 135595550

IUPAC1-[(2-methylsulfanylphenyl)iminomethyl]naphthalen-2-ol
SMILESCSc1ccccc1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C18H15NOS/c1-21-18-9-5-4-8-16(18)19-12-15-14-7-3-2-6-13(14)10-11-17(15)20/h2-12,20H,1H3/b19-12+
InChIKeyBJBUXIVLCJSUKN-XDHOZWIPSA-N
MW293.39 g/mol
LogP5.02
Rot. Bonds3

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

1-[(2-methylsulfanylphenyl)iminomethyl]naphthalen-2-ol (PubChem CID 135595550) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[(2-methylsulfanylphenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-methylsulfanylphenyl)iminomethyl]naphthalen-2-ol
PubChem CID135595550
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name1-[(2-methylsulfanylphenyl)iminomethyl]naphthalen-2-ol
SMILESCSc1ccccc1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C18H15NOS/c1-21-18-9-5-4-8-16(18)19-12-15-14-7-3-2-6-13(14)10-11-17(15)20/h2-12,20H,1H3/b19-12+
InChIKeyBJBUXIVLCJSUKN-XDHOZWIPSA-N
XLogP5.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylsulfanylphenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-methylsulfanylphenyl)iminomethyl]naphthalen-2-ol (CID 135595550) is 1-[(2-methylsulfanylphenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-methylsulfanylphenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-methylsulfanylphenyl)iminomethyl]naphthalen-2-ol is CSc1ccccc1/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(2-methylsulfanylphenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is BJBUXIVLCJSUKN-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H15NOS/c1-21-18-9-5-4-8-16(18)19-12-15-14-7-3-2-6-13(14)10-11-17(15)20/h2-12,20H,1H3/b19-12+.
What are the key properties of 1-[(2-methylsulfanylphenyl)iminomethyl]naphthalen-2-ol?
1-[(2-methylsulfanylphenyl)iminomethyl]naphthalen-2-ol has a molecular weight of 293.39 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylsulfanylphenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 135595550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).