1-(2-benzylsulfanylphenyl)-N-(4-methylphenyl)-1-phenylmethanimine

C27H23NS — CID 10739355

IUPAC1-(2-benzylsulfanylphenyl)-N-(4-methylphenyl)-1-phenylmethanimine
SMILESCc1ccc(/N=C(\c2ccccc2)c2ccccc2SCc2ccccc2)cc1
InChIInChI=1S/C27H23NS/c1-21-16-18-24(19-17-21)28-27(23-12-6-3-7-13-23)25-14-8-9-15-26(25)29-20-22-10-4-2-5-11-22/h2-19H,20H2,1H3/b28-27+
InChIKeyYYKODJKVWNQPEG-BYYHNAKLSA-N
MW393.56 g/mol
LogP7.46
Rot. Bonds6

About 1-(2-benzylsulfanylphenyl)-N-(4-methylphenyl)-1-phenylmethanimine

1-(2-benzylsulfanylphenyl)-N-(4-methylphenyl)-1-phenylmethanimine (PubChem CID 10739355) has the molecular formula C27H23NS and a molecular weight of 393.56 g/mol. Its IUPAC name is 1-(2-benzylsulfanylphenyl)-N-(4-methylphenyl)-1-phenylmethanimine.

Molecular Properties

Compound Name1-(2-benzylsulfanylphenyl)-N-(4-methylphenyl)-1-phenylmethanimine
PubChem CID10739355
Molecular FormulaC27H23NS
Molecular Weight393.56 g/mol
Exact Mass393.16
IUPAC Name1-(2-benzylsulfanylphenyl)-N-(4-methylphenyl)-1-phenylmethanimine
SMILESCc1ccc(/N=C(\c2ccccc2)c2ccccc2SCc2ccccc2)cc1
InChIInChI=1S/C27H23NS/c1-21-16-18-24(19-17-21)28-27(23-12-6-3-7-13-23)25-14-8-9-15-26(25)29-20-22-10-4-2-5-11-22/h2-19H,20H2,1H3/b28-27+
InChIKeyYYKODJKVWNQPEG-BYYHNAKLSA-N
XLogP7.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.56
LogP ≤ 57.46
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

1-(2-benzylsulfanylphenyl)propan-1-one
CID 112677640
1-benzylsulfanyl-4-methylbenzene
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1-(diaminomethylidene)-2-[2-[(4-methylphenyl)methylsulfanyl]phenyl]guanidine
CID 168602053
1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene
CID 5199420
2-[[4-[(2-carboxyphenyl)sulfanylmethyl]phenyl]methylsulfanyl]benzoic acid
CID 4101619
2-benzylsulfanyl-N-ethylbenzamide
CID 894590
(2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone
CID 151592012
1-benzylsulfanyl-2-(2-methylpropyl)benzene
CID 57222449
2-benzylsulfanyl-N-(2,4-dimethylpentan-3-yl)benzamide
CID 19062812
benzyl N-(4-methylphenyl)-3-phenylsulfanylprop-2-enimidothioate
CID 140521534
N-(3,5-dimethylphenyl)-1,1-diphenylmethanimine
CID 11033428
2-benzylsulfanyl-4-methylbenzenecarboximidamide
CID 62307832

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylsulfanylphenyl)-N-(4-methylphenyl)-1-phenylmethanimine?
The IUPAC name of 1-(2-benzylsulfanylphenyl)-N-(4-methylphenyl)-1-phenylmethanimine (CID 10739355) is 1-(2-benzylsulfanylphenyl)-N-(4-methylphenyl)-1-phenylmethanimine.
What is the SMILES notation for 1-(2-benzylsulfanylphenyl)-N-(4-methylphenyl)-1-phenylmethanimine?
The canonical SMILES for 1-(2-benzylsulfanylphenyl)-N-(4-methylphenyl)-1-phenylmethanimine is Cc1ccc(/N=C(\c2ccccc2)c2ccccc2SCc2ccccc2)cc1.
What is the InChIKey of 1-(2-benzylsulfanylphenyl)-N-(4-methylphenyl)-1-phenylmethanimine?
The InChIKey is YYKODJKVWNQPEG-BYYHNAKLSA-N. The full InChI is InChI=1S/C27H23NS/c1-21-16-18-24(19-17-21)28-27(23-12-6-3-7-13-23)25-14-8-9-15-26(25)29-20-22-10-4-2-5-11-22/h2-19H,20H2,1H3/b28-27+.
What are the key properties of 1-(2-benzylsulfanylphenyl)-N-(4-methylphenyl)-1-phenylmethanimine?
1-(2-benzylsulfanylphenyl)-N-(4-methylphenyl)-1-phenylmethanimine has a molecular weight of 393.56 g/mol, XLogP of 7.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylsulfanylphenyl)-N-(4-methylphenyl)-1-phenylmethanimine is sourced from PubChem (CID 10739355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).