1-(4-methylsulfanylphenyl)-N-phenylmethanimine

C14H13NS — CID 2381369

IUPAC1-(4-methylsulfanylphenyl)-N-phenylmethanimine
SMILESCSc1ccc(/C=N/c2ccccc2)cc1
InChIInChI=1S/C14H13NS/c1-16-14-9-7-12(8-10-14)11-15-13-5-3-2-4-6-13/h2-11H,1H3/b15-11+
InChIKeyBKLJTWATTBNSPA-RVDMUPIBSA-N
MW227.33 g/mol
LogP4.16
Rot. Bonds3

About 1-(4-methylsulfanylphenyl)-N-phenylmethanimine

1-(4-methylsulfanylphenyl)-N-phenylmethanimine (PubChem CID 2381369) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-N-phenylmethanimine
PubChem CID2381369
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC Name1-(4-methylsulfanylphenyl)-N-phenylmethanimine
SMILESCSc1ccc(/C=N/c2ccccc2)cc1
InChIInChI=1S/C14H13NS/c1-16-14-9-7-12(8-10-14)11-15-13-5-3-2-4-6-13/h2-11H,1H3/b15-11+
InChIKeyBKLJTWATTBNSPA-RVDMUPIBSA-N
XLogP4.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 54.16
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 1-(4-methylsulfanylphenyl)-N-phenylmethanimine?
The IUPAC name of 1-(4-methylsulfanylphenyl)-N-phenylmethanimine (CID 2381369) is 1-(4-methylsulfanylphenyl)-N-phenylmethanimine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-N-phenylmethanimine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-N-phenylmethanimine is CSc1ccc(/C=N/c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-N-phenylmethanimine?
The InChIKey is BKLJTWATTBNSPA-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H13NS/c1-16-14-9-7-12(8-10-14)11-15-13-5-3-2-4-6-13/h2-11H,1H3/b15-11+.
What are the key properties of 1-(4-methylsulfanylphenyl)-N-phenylmethanimine?
1-(4-methylsulfanylphenyl)-N-phenylmethanimine has a molecular weight of 227.33 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-N-phenylmethanimine is sourced from PubChem (CID 2381369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).