(E,E)-N-phenylmethoxy-3-phenylsulfanylprop-2-en-1-imine

C16H15NOS — CID 177391470

IUPAC(E,E)-N-phenylmethoxy-3-phenylsulfanylprop-2-en-1-imine
SMILESC(=C/Sc1ccccc1)\C=N\OCc1ccccc1
InChIInChI=1S/C16H15NOS/c1-3-8-15(9-4-1)14-18-17-12-7-13-19-16-10-5-2-6-11-16/h1-13H,14H2/b13-7+,17-12+
InChIKeyAPJUFYASNOVUCB-MUZUHFIMSA-N
MW269.37 g/mol
LogP4.49
Rot. Bonds6

About (E,E)-N-phenylmethoxy-3-phenylsulfanylprop-2-en-1-imine

(E,E)-N-phenylmethoxy-3-phenylsulfanylprop-2-en-1-imine (PubChem CID 177391470) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is (E,E)-N-phenylmethoxy-3-phenylsulfanylprop-2-en-1-imine.

Molecular Properties

Compound Name(E,E)-N-phenylmethoxy-3-phenylsulfanylprop-2-en-1-imine
PubChem CID177391470
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name(E,E)-N-phenylmethoxy-3-phenylsulfanylprop-2-en-1-imine
SMILESC(=C/Sc1ccccc1)\C=N\OCc1ccccc1
InChIInChI=1S/C16H15NOS/c1-3-8-15(9-4-1)14-18-17-12-7-13-19-16-10-5-2-6-11-16/h1-13H,14H2/b13-7+,17-12+
InChIKeyAPJUFYASNOVUCB-MUZUHFIMSA-N
XLogP4.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-phenylmethoxyprop-2-en-1-imine
CID 75740750
2-phenylmethoxyiminoacetaldehyde
CID 56611193
(Z)-2,2,2-trichloro-N-phenylmethoxyethanimine
CID 11807168
(E)-2-bromo-N-phenylmethoxyethanimine
CID 53381097
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
(6E)-6-phenylmethoxyiminohexanal
CID 14120171
(E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine
CID 130381597
(E)-N-phenylmethoxyheptan-1-imine
CID 88959136
(2E)-2-phenylmethoxyiminoacetyl chloride
CID 135240017
trihydroxy-[2-[(E)-phenylmethoxyiminomethyl]phenyl]boranuide
CID 177433206
N-phenylmethoxymethanimine
CID 561610
(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
CID 117060747

Frequently Asked Questions

What is the IUPAC name of (E,E)-N-phenylmethoxy-3-phenylsulfanylprop-2-en-1-imine?
The IUPAC name of (E,E)-N-phenylmethoxy-3-phenylsulfanylprop-2-en-1-imine (CID 177391470) is (E,E)-N-phenylmethoxy-3-phenylsulfanylprop-2-en-1-imine.
What is the SMILES notation for (E,E)-N-phenylmethoxy-3-phenylsulfanylprop-2-en-1-imine?
The canonical SMILES for (E,E)-N-phenylmethoxy-3-phenylsulfanylprop-2-en-1-imine is C(=C/Sc1ccccc1)\C=N\OCc1ccccc1.
What is the InChIKey of (E,E)-N-phenylmethoxy-3-phenylsulfanylprop-2-en-1-imine?
The InChIKey is APJUFYASNOVUCB-MUZUHFIMSA-N. The full InChI is InChI=1S/C16H15NOS/c1-3-8-15(9-4-1)14-18-17-12-7-13-19-16-10-5-2-6-11-16/h1-13H,14H2/b13-7+,17-12+.
What are the key properties of (E,E)-N-phenylmethoxy-3-phenylsulfanylprop-2-en-1-imine?
(E,E)-N-phenylmethoxy-3-phenylsulfanylprop-2-en-1-imine has a molecular weight of 269.37 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-N-phenylmethoxy-3-phenylsulfanylprop-2-en-1-imine is sourced from PubChem (CID 177391470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).