2-[2-[(4-sulfanylphenyl)iminomethyl]phenoxy]acetaldehyde

C15H13NO2S — CID 143730173

IUPAC2-[2-[(4-sulfanylphenyl)iminomethyl]phenoxy]acetaldehyde
SMILESO=CCOc1ccccc1/C=N/c1ccc(S)cc1
InChIInChI=1S/C15H13NO2S/c17-9-10-18-15-4-2-1-3-12(15)11-16-13-5-7-14(19)8-6-13/h1-9,11,19H,10H2/b16-11+
InChIKeyUDHVHNRDSSMLKR-LFIBNONCSA-N
MW271.34 g/mol
LogP3.30
Rot. Bonds5

About 2-[2-[(4-sulfanylphenyl)iminomethyl]phenoxy]acetaldehyde

2-[2-[(4-sulfanylphenyl)iminomethyl]phenoxy]acetaldehyde (PubChem CID 143730173) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[2-[(4-sulfanylphenyl)iminomethyl]phenoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2-[(4-sulfanylphenyl)iminomethyl]phenoxy]acetaldehyde
PubChem CID143730173
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name2-[2-[(4-sulfanylphenyl)iminomethyl]phenoxy]acetaldehyde
SMILESO=CCOc1ccccc1/C=N/c1ccc(S)cc1
InChIInChI=1S/C15H13NO2S/c17-9-10-18-15-4-2-1-3-12(15)11-16-13-5-7-14(19)8-6-13/h1-9,11,19H,10H2/b16-11+
InChIKeyUDHVHNRDSSMLKR-LFIBNONCSA-N
XLogP3.30
TPSA38.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine
CID 14715139
1-(2-ethoxyphenyl)-N-phenylmethanimine
CID 961492
1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 693656
1-[2-[(4-chlorophenyl)iminomethyl]phenoxy]propan-2-one
CID 71070201
4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate
CID 7640518
1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone
CID 693758
ethane;1-(2-methoxyphenyl)-N-phenylmethanimine
CID 176714892
N-(3,4-dichlorophenyl)-1-(2-phenylmethoxyphenyl)methanimine
CID 2202887
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
4-[(4-sulfanylphenyl)iminomethyl]benzaldehyde
CID 101023426
N-(4-bromophenyl)-1-[2-(2-methylpentoxy)phenyl]methanimine
CID 91228005
N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 659181

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-sulfanylphenyl)iminomethyl]phenoxy]acetaldehyde?
The IUPAC name of 2-[2-[(4-sulfanylphenyl)iminomethyl]phenoxy]acetaldehyde (CID 143730173) is 2-[2-[(4-sulfanylphenyl)iminomethyl]phenoxy]acetaldehyde.
What is the SMILES notation for 2-[2-[(4-sulfanylphenyl)iminomethyl]phenoxy]acetaldehyde?
The canonical SMILES for 2-[2-[(4-sulfanylphenyl)iminomethyl]phenoxy]acetaldehyde is O=CCOc1ccccc1/C=N/c1ccc(S)cc1.
What is the InChIKey of 2-[2-[(4-sulfanylphenyl)iminomethyl]phenoxy]acetaldehyde?
The InChIKey is UDHVHNRDSSMLKR-LFIBNONCSA-N. The full InChI is InChI=1S/C15H13NO2S/c17-9-10-18-15-4-2-1-3-12(15)11-16-13-5-7-14(19)8-6-13/h1-9,11,19H,10H2/b16-11+.
What are the key properties of 2-[2-[(4-sulfanylphenyl)iminomethyl]phenoxy]acetaldehyde?
2-[2-[(4-sulfanylphenyl)iminomethyl]phenoxy]acetaldehyde has a molecular weight of 271.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-sulfanylphenyl)iminomethyl]phenoxy]acetaldehyde is sourced from PubChem (CID 143730173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).