4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol

C13H10BrNOS — CID 135692449

IUPAC4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1ccc(S)cc1
InChIInChI=1S/C13H10BrNOS/c14-10-1-6-13(16)9(7-10)8-15-11-2-4-12(17)5-3-11/h1-8,16-17H/b15-8+
InChIKeyPFBUONMQKWCARI-OVCLIPMQSA-N
MW308.20 g/mol
LogP4.19
Rot. Bonds2

About 4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol

4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol (PubChem CID 135692449) has the molecular formula C13H10BrNOS and a molecular weight of 308.20 g/mol. Its IUPAC name is 4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol
PubChem CID135692449
Molecular FormulaC13H10BrNOS
Molecular Weight308.20 g/mol
Exact Mass306.97
IUPAC Name4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1ccc(S)cc1
InChIInChI=1S/C13H10BrNOS/c14-10-1-6-13(16)9(7-10)8-15-11-2-4-12(17)5-3-11/h1-8,16-17H/b15-8+
InChIKeyPFBUONMQKWCARI-OVCLIPMQSA-N
XLogP4.19
TPSA32.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol
CID 707393
4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonic acid
CID 4779411
2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]acetonitrile
CID 2796509
4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol
CID 135657407
N-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide
CID 913370
4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
CID 135986923
4-methyl-2-[(4-methylphenyl)iminomethyl]phenol
CID 3627082
4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol
CID 135657405
4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol
CID 135657383
3-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzonitrile
CID 721960
dimethyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595464
4-bromo-2-[(E)-[4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766508

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol (CID 135692449) is 4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol is Oc1ccc(Br)cc1/C=N/c1ccc(S)cc1.
What is the InChIKey of 4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol?
The InChIKey is PFBUONMQKWCARI-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H10BrNOS/c14-10-1-6-13(16)9(7-10)8-15-11-2-4-12(17)5-3-11/h1-8,16-17H/b15-8+.
What are the key properties of 4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol?
4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol has a molecular weight of 308.20 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol is sourced from PubChem (CID 135692449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).