2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol

C24H32N2O4S2 — CID 137082870

IUPAC2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/CCSCCCCSCC/N=C/c2cc(OC)ccc2O)c1
InChIInChI=1S/C24H32N2O4S2/c1-29-21-5-7-23(27)19(15-21)17-25-9-13-31-11-3-4-12-32-14-10-26-18-20-16-22(30-2)6-8-24(20)28/h5-8,15-18,27-28H,3-4,9-14H2,1-2H3/b25-17+,26-18+
InChIKeyAUEBYQNTZXRZBF-RPCRKUJJSA-N
MW476.66 g/mol
LogP4.90
Rot. Bonds15

About 2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol

2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol (PubChem CID 137082870) has the molecular formula C24H32N2O4S2 and a molecular weight of 476.66 g/mol. Its IUPAC name is 2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol
PubChem CID137082870
Molecular FormulaC24H32N2O4S2
Molecular Weight476.66 g/mol
Exact Mass476.18
IUPAC Name2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/CCSCCCCSCC/N=C/c2cc(OC)ccc2O)c1
InChIInChI=1S/C24H32N2O4S2/c1-29-21-5-7-23(27)19(15-21)17-25-9-13-31-11-3-4-12-32-14-10-26-18-20-16-22(30-2)6-8-24(20)28/h5-8,15-18,27-28H,3-4,9-14H2,1-2H3/b25-17+,26-18+
InChIKeyAUEBYQNTZXRZBF-RPCRKUJJSA-N
XLogP4.90
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.66
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol with MolForge

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Related Compounds

4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
CID 137210775
2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol
CID 135596106
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
2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol
CID 136914415
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-[2-[(2-hydroxy-5-icosoxyphenyl)methylideneamino]ethyliminomethyl]-4-icosoxyphenol
CID 136723269
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol?
The IUPAC name of 2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol (CID 137082870) is 2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol?
The canonical SMILES for 2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol is COc1ccc(O)c(/C=N/CCSCCCCSCC/N=C/c2cc(OC)ccc2O)c1.
What is the InChIKey of 2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol?
The InChIKey is AUEBYQNTZXRZBF-RPCRKUJJSA-N. The full InChI is InChI=1S/C24H32N2O4S2/c1-29-21-5-7-23(27)19(15-21)17-25-9-13-31-11-3-4-12-32-14-10-26-18-20-16-22(30-2)6-8-24(20)28/h5-8,15-18,27-28H,3-4,9-14H2,1-2H3/b25-17+,26-18+.
What are the key properties of 2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol?
2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol has a molecular weight of 476.66 g/mol, XLogP of 4.90, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol is sourced from PubChem (CID 137082870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).