4-[(4-sulfanylphenyl)iminomethyl]benzaldehyde

C14H11NOS — CID 101023426

IUPAC4-[(4-sulfanylphenyl)iminomethyl]benzaldehyde
SMILESO=Cc1ccc(/C=N/c2ccc(S)cc2)cc1
InChIInChI=1S/C14H11NOS/c16-10-12-3-1-11(2-4-12)9-15-13-5-7-14(17)8-6-13/h1-10,17H/b15-9+
InChIKeyBQMGXICHHXSDQQ-OQLLNIDSSA-N
MW241.32 g/mol
LogP3.54
Rot. Bonds3

About 4-[(4-sulfanylphenyl)iminomethyl]benzaldehyde

4-[(4-sulfanylphenyl)iminomethyl]benzaldehyde (PubChem CID 101023426) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-[(4-sulfanylphenyl)iminomethyl]benzaldehyde.

Molecular Properties

Compound Name4-[(4-sulfanylphenyl)iminomethyl]benzaldehyde
PubChem CID101023426
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name4-[(4-sulfanylphenyl)iminomethyl]benzaldehyde
SMILESO=Cc1ccc(/C=N/c2ccc(S)cc2)cc1
InChIInChI=1S/C14H11NOS/c16-10-12-3-1-11(2-4-12)9-15-13-5-7-14(17)8-6-13/h1-10,17H/b15-9+
InChIKeyBQMGXICHHXSDQQ-OQLLNIDSSA-N
XLogP3.54
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[(4-fluorophenyl)methylideneamino]benzenethiol
CID 15543881
4-(pyridin-4-yliminomethyl)benzaldehyde
CID 170984117
N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
4-[[4-[(4-carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid
CID 3419658
4-(ethylideneamino)benzenethiol
CID 123481621
2-tert-butyl-5-[(4-tert-butyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-[4-[(4-sulfanylphenyl)methylideneamino]phenyl]methyl]cyclohexa-2,5-diene-1,4-dione
CID 136857614
1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine
CID 4028302
4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol
CID 3085874
[4-[[4-[(4-boronophenyl)methylideneamino]phenyl]iminomethyl]phenyl]boronic acid
CID 90438136
4-benzylaniline;4-[[4-[(4-benzylphenyl)iminomethyl]phenyl]methylideneamino]-N-phenylaniline;methane;terephthalaldehyde
CID 158654327
N,1-diphenylmethanimine
CID 10858

Frequently Asked Questions

What is the IUPAC name of 4-[(4-sulfanylphenyl)iminomethyl]benzaldehyde?
The IUPAC name of 4-[(4-sulfanylphenyl)iminomethyl]benzaldehyde (CID 101023426) is 4-[(4-sulfanylphenyl)iminomethyl]benzaldehyde.
What is the SMILES notation for 4-[(4-sulfanylphenyl)iminomethyl]benzaldehyde?
The canonical SMILES for 4-[(4-sulfanylphenyl)iminomethyl]benzaldehyde is O=Cc1ccc(/C=N/c2ccc(S)cc2)cc1.
What is the InChIKey of 4-[(4-sulfanylphenyl)iminomethyl]benzaldehyde?
The InChIKey is BQMGXICHHXSDQQ-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H11NOS/c16-10-12-3-1-11(2-4-12)9-15-13-5-7-14(17)8-6-13/h1-10,17H/b15-9+.
What are the key properties of 4-[(4-sulfanylphenyl)iminomethyl]benzaldehyde?
4-[(4-sulfanylphenyl)iminomethyl]benzaldehyde has a molecular weight of 241.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-sulfanylphenyl)iminomethyl]benzaldehyde is sourced from PubChem (CID 101023426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).