N-ethyl-1-(4-methylsulfanylphenyl)methanimine

C10H13NS — CID 11217583

IUPACN-ethyl-1-(4-methylsulfanylphenyl)methanimine
SMILESCC/N=C/c1ccc(SC)cc1
InChIInChI=1S/C10H13NS/c1-3-11-8-9-4-6-10(12-2)7-5-9/h4-8H,3H2,1-2H3/b11-8+
InChIKeyZFVBKXMEWDKPSB-DHZHZOJOSA-N
MW179.29 g/mol
LogP2.85
Rot. Bonds3

About N-ethyl-1-(4-methylsulfanylphenyl)methanimine

N-ethyl-1-(4-methylsulfanylphenyl)methanimine (PubChem CID 11217583) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is N-ethyl-1-(4-methylsulfanylphenyl)methanimine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylsulfanylphenyl)methanimine
PubChem CID11217583
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC NameN-ethyl-1-(4-methylsulfanylphenyl)methanimine
SMILESCC/N=C/c1ccc(SC)cc1
InChIInChI=1S/C10H13NS/c1-3-11-8-9-4-6-10(12-2)7-5-9/h4-8H,3H2,1-2H3/b11-8+
InChIKeyZFVBKXMEWDKPSB-DHZHZOJOSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylsulfanylphenyl)methanimine?
The IUPAC name of N-ethyl-1-(4-methylsulfanylphenyl)methanimine (CID 11217583) is N-ethyl-1-(4-methylsulfanylphenyl)methanimine.
What is the SMILES notation for N-ethyl-1-(4-methylsulfanylphenyl)methanimine?
The canonical SMILES for N-ethyl-1-(4-methylsulfanylphenyl)methanimine is CC/N=C/c1ccc(SC)cc1.
What is the InChIKey of N-ethyl-1-(4-methylsulfanylphenyl)methanimine?
The InChIKey is ZFVBKXMEWDKPSB-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H13NS/c1-3-11-8-9-4-6-10(12-2)7-5-9/h4-8H,3H2,1-2H3/b11-8+.
What are the key properties of N-ethyl-1-(4-methylsulfanylphenyl)methanimine?
N-ethyl-1-(4-methylsulfanylphenyl)methanimine has a molecular weight of 179.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylsulfanylphenyl)methanimine is sourced from PubChem (CID 11217583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).