2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol

C16H16BrNO2S — CID 135596106

IUPAC2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/CCSc2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO2S/c1-20-14-4-7-16(19)12(10-14)11-18-8-9-21-15-5-2-13(17)3-6-15/h2-7,10-11,19H,8-9H2,1H3/b18-11+
InChIKeyWYBIWCYMMGFQPM-WOJGMQOQSA-N
MW366.28 g/mol
LogP4.37
Rot. Bonds6

About 2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol

2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol (PubChem CID 135596106) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol
PubChem CID135596106
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC Name2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/CCSc2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO2S/c1-20-14-4-7-16(19)12(10-14)11-18-8-9-21-15-5-2-13(17)3-6-15/h2-7,10-11,19H,8-9H2,1H3/b18-11+
InChIKeyWYBIWCYMMGFQPM-WOJGMQOQSA-N
XLogP4.37
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol
CID 137082870
4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
CID 137210775
1-(2,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)methanimine
CID 10756725
2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol
CID 135606976
2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol
CID 137231962
2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol
CID 136618032
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135817975
4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919
2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol
CID 136914415
[(1S)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 135596433
2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol
CID 142265879
2-(4-bromoanilino)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135678709

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol?
The IUPAC name of 2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol (CID 135596106) is 2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol?
The canonical SMILES for 2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol is COc1ccc(O)c(/C=N/CCSc2ccc(Br)cc2)c1.
What is the InChIKey of 2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol?
The InChIKey is WYBIWCYMMGFQPM-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c1-20-14-4-7-16(19)12(10-14)11-18-8-9-21-15-5-2-13(17)3-6-15/h2-7,10-11,19H,8-9H2,1H3/b18-11+.
What are the key properties of 2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol?
2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol has a molecular weight of 366.28 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol is sourced from PubChem (CID 135596106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).