N-[(Z)-1-(4-ethylphenyl)-2-methylsulfanylethenyl]methanimine

C12H15NS — CID 143127399

IUPACN-[(Z)-1-(4-ethylphenyl)-2-methylsulfanylethenyl]methanimine
SMILESC=N/C(=C\SC)c1ccc(CC)cc1
InChIInChI=1S/C12H15NS/c1-4-10-5-7-11(8-6-10)12(13-2)9-14-3/h5-9H,2,4H2,1,3H3/b12-9-
InChIKeyZXQBZHBJDLDVOI-XFXZXTDPSA-N
MW205.33 g/mol
LogP3.61
Rot. Bonds4

About N-[(Z)-1-(4-ethylphenyl)-2-methylsulfanylethenyl]methanimine

N-[(Z)-1-(4-ethylphenyl)-2-methylsulfanylethenyl]methanimine (PubChem CID 143127399) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is N-[(Z)-1-(4-ethylphenyl)-2-methylsulfanylethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1-(4-ethylphenyl)-2-methylsulfanylethenyl]methanimine
PubChem CID143127399
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC NameN-[(Z)-1-(4-ethylphenyl)-2-methylsulfanylethenyl]methanimine
SMILESC=N/C(=C\SC)c1ccc(CC)cc1
InChIInChI=1S/C12H15NS/c1-4-10-5-7-11(8-6-10)12(13-2)9-14-3/h5-9H,2,4H2,1,3H3/b12-9-
InChIKeyZXQBZHBJDLDVOI-XFXZXTDPSA-N
XLogP3.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]methanimine;prop-1-ene
CID 144676396
N-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine
CID 149002722
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
1-[(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]-4-propylbenzene
CID 142266398
1-[(E)-but-2-en-2-yl]-4-ethylbenzene
CID 19784779
1-(4-ethylphenyl)buta-2,3-dien-1-one
CID 102501593
N-[(Z)-1,3-bis(4-fluorophenyl)prop-1-enyl]methanimine
CID 144906825
S-fluoro 4-ethylbenzenecarbothioate
CID 143241500
1-[(E)-2-chloro-1-methylsulfanylprop-1-enyl]-4-ethylbenzene
CID 145480521
1-(4-ethylphenyl)ethanone;propanamide
CID 142891370
1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene
CID 143743129
4-ethylbenzoic acid;formaldehyde
CID 155718391

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-ethylphenyl)-2-methylsulfanylethenyl]methanimine?
The IUPAC name of N-[(Z)-1-(4-ethylphenyl)-2-methylsulfanylethenyl]methanimine (CID 143127399) is N-[(Z)-1-(4-ethylphenyl)-2-methylsulfanylethenyl]methanimine.
What is the SMILES notation for N-[(Z)-1-(4-ethylphenyl)-2-methylsulfanylethenyl]methanimine?
The canonical SMILES for N-[(Z)-1-(4-ethylphenyl)-2-methylsulfanylethenyl]methanimine is C=N/C(=C\SC)c1ccc(CC)cc1.
What is the InChIKey of N-[(Z)-1-(4-ethylphenyl)-2-methylsulfanylethenyl]methanimine?
The InChIKey is ZXQBZHBJDLDVOI-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H15NS/c1-4-10-5-7-11(8-6-10)12(13-2)9-14-3/h5-9H,2,4H2,1,3H3/b12-9-.
What are the key properties of N-[(Z)-1-(4-ethylphenyl)-2-methylsulfanylethenyl]methanimine?
N-[(Z)-1-(4-ethylphenyl)-2-methylsulfanylethenyl]methanimine has a molecular weight of 205.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-ethylphenyl)-2-methylsulfanylethenyl]methanimine is sourced from PubChem (CID 143127399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).