1-[(E)-(4-chlorophenyl)sulfanyliminomethyl]naphthalen-2-ol

C17H12ClNOS — CID 135747261

IUPAC1-[(E)-(4-chlorophenyl)sulfanyliminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/Sc1ccc(Cl)cc1
InChIInChI=1S/C17H12ClNOS/c18-13-6-8-14(9-7-13)21-19-11-16-15-4-2-1-3-12(15)5-10-17(16)20/h1-11,20H/b19-11+
InChIKeyCYLRWWIYEBHCSL-YBFXNURJSA-N
MW313.81 g/mol
LogP5.32
Rot. Bonds3

About 1-[(E)-(4-chlorophenyl)sulfanyliminomethyl]naphthalen-2-ol

1-[(E)-(4-chlorophenyl)sulfanyliminomethyl]naphthalen-2-ol (PubChem CID 135747261) has the molecular formula C17H12ClNOS and a molecular weight of 313.81 g/mol. Its IUPAC name is 1-[(E)-(4-chlorophenyl)sulfanyliminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-(4-chlorophenyl)sulfanyliminomethyl]naphthalen-2-ol
PubChem CID135747261
Molecular FormulaC17H12ClNOS
Molecular Weight313.81 g/mol
Exact Mass313.03
IUPAC Name1-[(E)-(4-chlorophenyl)sulfanyliminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/Sc1ccc(Cl)cc1
InChIInChI=1S/C17H12ClNOS/c18-13-6-8-14(9-7-13)21-19-11-16-15-4-2-1-3-12(15)5-10-17(16)20/h1-11,20H/b19-11+
InChIKeyCYLRWWIYEBHCSL-YBFXNURJSA-N
XLogP5.32
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.81
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]naphthalen-2-ol
CID 135519235
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-[(Z)-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]iminomethyl]naphthalen-2-ol
CID 136732639
1-[(E)-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]iminomethyl]naphthalen-2-ol
CID 135773813
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 630306
1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol
CID 136675821
1-(pentyliminomethyl)naphthalen-2-ol
CID 137231972
1-[(2,3-dichlorophenyl)iminomethyl]naphthalen-2-ol
CID 690805
1-[(Z)-1,2,4-triazol-1-yliminomethyl]naphthalen-2-ol
CID 136759633
1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
CID 3576819
1-[(Z)-(diphenylhydrazinylidene)methyl]naphthalen-2-ol
CID 136690442

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(4-chlorophenyl)sulfanyliminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-(4-chlorophenyl)sulfanyliminomethyl]naphthalen-2-ol (CID 135747261) is 1-[(E)-(4-chlorophenyl)sulfanyliminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-(4-chlorophenyl)sulfanyliminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-(4-chlorophenyl)sulfanyliminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/Sc1ccc(Cl)cc1.
What is the InChIKey of 1-[(E)-(4-chlorophenyl)sulfanyliminomethyl]naphthalen-2-ol?
The InChIKey is CYLRWWIYEBHCSL-YBFXNURJSA-N. The full InChI is InChI=1S/C17H12ClNOS/c18-13-6-8-14(9-7-13)21-19-11-16-15-4-2-1-3-12(15)5-10-17(16)20/h1-11,20H/b19-11+.
What are the key properties of 1-[(E)-(4-chlorophenyl)sulfanyliminomethyl]naphthalen-2-ol?
1-[(E)-(4-chlorophenyl)sulfanyliminomethyl]naphthalen-2-ol has a molecular weight of 313.81 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-chlorophenyl)sulfanyliminomethyl]naphthalen-2-ol is sourced from PubChem (CID 135747261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).