4-methoxy-2-(2-sulfanylethyliminomethyl)phenol

C10H13NO2S — CID 137210775

IUPAC4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
SMILESCOc1ccc(O)c(/C=N/CCS)c1
InChIInChI=1S/C10H13NO2S/c1-13-9-2-3-10(12)8(6-9)7-11-4-5-14/h2-3,6-7,12,14H,4-5H2,1H3/b11-7+
InChIKeyIDIHQVBOUCAOAX-YRNVUSSQSA-N
MW211.29 g/mol
LogP1.75
Rot. Bonds4

About 4-methoxy-2-(2-sulfanylethyliminomethyl)phenol

4-methoxy-2-(2-sulfanylethyliminomethyl)phenol (PubChem CID 137210775) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-methoxy-2-(2-sulfanylethyliminomethyl)phenol.

Molecular Properties

Compound Name4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
PubChem CID137210775
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
SMILESCOc1ccc(O)c(/C=N/CCS)c1
InChIInChI=1S/C10H13NO2S/c1-13-9-2-3-10(12)8(6-9)7-11-4-5-14/h2-3,6-7,12,14H,4-5H2,1H3/b11-7+
InChIKeyIDIHQVBOUCAOAX-YRNVUSSQSA-N
XLogP1.75
TPSA41.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol
CID 137082870
2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol
CID 137231962
2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol
CID 136914415
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135817975
2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol
CID 135596106
2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol
CID 136618032
2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol
CID 142265879
4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol
CID 135757890
2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol
CID 135595429
2-[2-(1,3-benzothiazol-2-yl)ethyliminomethyl]-4-methoxyphenol
CID 135818099
acetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese
CID 135509459
2-(ethyliminomethyl)-5-methoxyphenol
CID 144549332

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-sulfanylethyliminomethyl)phenol?
The IUPAC name of 4-methoxy-2-(2-sulfanylethyliminomethyl)phenol (CID 137210775) is 4-methoxy-2-(2-sulfanylethyliminomethyl)phenol.
What is the SMILES notation for 4-methoxy-2-(2-sulfanylethyliminomethyl)phenol?
The canonical SMILES for 4-methoxy-2-(2-sulfanylethyliminomethyl)phenol is COc1ccc(O)c(/C=N/CCS)c1.
What is the InChIKey of 4-methoxy-2-(2-sulfanylethyliminomethyl)phenol?
The InChIKey is IDIHQVBOUCAOAX-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-13-9-2-3-10(12)8(6-9)7-11-4-5-14/h2-3,6-7,12,14H,4-5H2,1H3/b11-7+.
What are the key properties of 4-methoxy-2-(2-sulfanylethyliminomethyl)phenol?
4-methoxy-2-(2-sulfanylethyliminomethyl)phenol has a molecular weight of 211.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-sulfanylethyliminomethyl)phenol is sourced from PubChem (CID 137210775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).