1-(4-methylsulfinylphenyl)-N-phenylmethanimine

C14H13NOS — CID 118035773

IUPAC1-(4-methylsulfinylphenyl)-N-phenylmethanimine
SMILESCS(=O)c1ccc(/C=N/c2ccccc2)cc1
InChIInChI=1S/C14H13NOS/c1-17(16)14-9-7-12(8-10-14)11-15-13-5-3-2-4-6-13/h2-11H,1H3/b15-11+
InChIKeyVKFVFXCSERGOMY-RVDMUPIBSA-N
MW243.33 g/mol
LogP3.17
Rot. Bonds3

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

1-(4-methylsulfinylphenyl)-N-phenylmethanimine (PubChem CID 118035773) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(4-methylsulfinylphenyl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(4-methylsulfinylphenyl)-N-phenylmethanimine
PubChem CID118035773
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name1-(4-methylsulfinylphenyl)-N-phenylmethanimine
SMILESCS(=O)c1ccc(/C=N/c2ccccc2)cc1
InChIInChI=1S/C14H13NOS/c1-17(16)14-9-7-12(8-10-14)11-15-13-5-3-2-4-6-13/h2-11H,1H3/b15-11+
InChIKeyVKFVFXCSERGOMY-RVDMUPIBSA-N
XLogP3.17
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.17
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,1-diphenylmethanimine
CID 10858
1-(4-phenoxyphenyl)-N-phenylmethanimine
CID 690951
4-methylsulfinylbenzaldehyde
CID 3015943
1-(4-ethoxyphenyl)-N-phenylmethanimine
CID 555222
1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine
CID 102429934
1-phenyl-N-[4-(4-phenylphenyl)phenyl]methanimine
CID 101426517
N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
methyl-(4-methylsulfinylphenyl)-phenylsulfanium
CID 16695717
4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 100976473
N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide
CID 20517414
4-[[4-[(4-carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid
CID 3419658

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfinylphenyl)-N-phenylmethanimine?
The IUPAC name of 1-(4-methylsulfinylphenyl)-N-phenylmethanimine (CID 118035773) is 1-(4-methylsulfinylphenyl)-N-phenylmethanimine.
What is the SMILES notation for 1-(4-methylsulfinylphenyl)-N-phenylmethanimine?
The canonical SMILES for 1-(4-methylsulfinylphenyl)-N-phenylmethanimine is CS(=O)c1ccc(/C=N/c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylsulfinylphenyl)-N-phenylmethanimine?
The InChIKey is VKFVFXCSERGOMY-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H13NOS/c1-17(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-methylsulfinylphenyl)-N-phenylmethanimine?
1-(4-methylsulfinylphenyl)-N-phenylmethanimine has a molecular weight of 243.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfinylphenyl)-N-phenylmethanimine is sourced from PubChem (CID 118035773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).