4-[1-[4-methoxy-2-(methylideneamino)phenyl]ethenoxy]benzenethiol

C16H15NO2S — CID 168886662

IUPAC4-[1-[4-methoxy-2-(methylideneamino)phenyl]ethenoxy]benzenethiol
SMILESC=Nc1cc(OC)ccc1C(=C)Oc1ccc(S)cc1
InChIInChI=1S/C16H15NO2S/c1-11(19-12-4-7-14(20)8-5-12)15-9-6-13(18-3)10-16(15)17-2/h4-10,20H,1-2H2,3H3
InChIKeyKNWSKAGYKKVEAC-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.37
Rot. Bonds5

About 4-[1-[4-methoxy-2-(methylideneamino)phenyl]ethenoxy]benzenethiol

4-[1-[4-methoxy-2-(methylideneamino)phenyl]ethenoxy]benzenethiol (PubChem CID 168886662) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-[1-[4-methoxy-2-(methylideneamino)phenyl]ethenoxy]benzenethiol.

Molecular Properties

Compound Name4-[1-[4-methoxy-2-(methylideneamino)phenyl]ethenoxy]benzenethiol
PubChem CID168886662
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name4-[1-[4-methoxy-2-(methylideneamino)phenyl]ethenoxy]benzenethiol
SMILESC=Nc1cc(OC)ccc1C(=C)Oc1ccc(S)cc1
InChIInChI=1S/C16H15NO2S/c1-11(19-12-4-7-14(20)8-5-12)15-9-6-13(18-3)10-16(15)17-2/h4-10,20H,1-2H2,3H3
InChIKeyKNWSKAGYKKVEAC-UHFFFAOYSA-N
XLogP4.37
TPSA30.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine
CID 145260845
4-methoxy-2-(methylideneamino)aniline
CID 163228388
methyl 2-[2-[4-methoxy-2-(methylideneamino)phenyl]prop-2-enylamino]-2-methylpropanoate
CID 142929100
N-[2-[1-(4-cyclopropylsulfanylphenoxy)ethenyl]-4-fluoro-5-methoxyphenyl]methanimine
CID 157041176
methyl 2-(2,4-dimethoxyphenyl)prop-2-enoate
CID 116843206
4-methoxy-2-methyl-1-prop-1-en-2-ylbenzene
CID 90442837
methanamine;4-[1-[4-methoxy-2-(methylamino)phenyl]propylideneamino]benzenethiol
CID 168886701
1-[4,5-dimethoxy-2-(methylideneamino)phenyl]ethenol
CID 145169624
1-methoxy-4-(1-phenoxyethenyl)benzene
CID 89029241
2-(2,4-dimethoxyphenyl)prop-2-enamide
CID 174817497
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol
CID 137082808
1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene
CID 126581039

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-methoxy-2-(methylideneamino)phenyl]ethenoxy]benzenethiol?
The IUPAC name of 4-[1-[4-methoxy-2-(methylideneamino)phenyl]ethenoxy]benzenethiol (CID 168886662) is 4-[1-[4-methoxy-2-(methylideneamino)phenyl]ethenoxy]benzenethiol.
What is the SMILES notation for 4-[1-[4-methoxy-2-(methylideneamino)phenyl]ethenoxy]benzenethiol?
The canonical SMILES for 4-[1-[4-methoxy-2-(methylideneamino)phenyl]ethenoxy]benzenethiol is C=Nc1cc(OC)ccc1C(=C)Oc1ccc(S)cc1.
What is the InChIKey of 4-[1-[4-methoxy-2-(methylideneamino)phenyl]ethenoxy]benzenethiol?
The InChIKey is KNWSKAGYKKVEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-11(19-12-4-7-14(20)8-5-12)15-9-6-13(18-3)10-16(15)17-2/h4-10,20H,1-2H2,3H3.
What are the key properties of 4-[1-[4-methoxy-2-(methylideneamino)phenyl]ethenoxy]benzenethiol?
4-[1-[4-methoxy-2-(methylideneamino)phenyl]ethenoxy]benzenethiol has a molecular weight of 285.37 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-methoxy-2-(methylideneamino)phenyl]ethenoxy]benzenethiol is sourced from PubChem (CID 168886662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).