1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine

C23H21NS — CID 91197103

IUPAC1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
SMILESCc1ccc(/C(C=CSc2cccc(C)c2)=N/c2ccccc2)cc1
InChIInChI=1S/C23H21NS/c1-18-11-13-20(14-12-18)23(24-21-8-4-3-5-9-21)15-16-25-22-10-6-7-19(2)17-22/h3-17H,1-2H3/b16-15?,24-23+
InChIKeyOLAAFYMKBMAAFA-ODZDDEARSA-N
MW343.50 g/mol
LogP6.73
Rot. Bonds5

About 1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine

1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine (PubChem CID 91197103) has the molecular formula C23H21NS and a molecular weight of 343.50 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
PubChem CID91197103
Molecular FormulaC23H21NS
Molecular Weight343.50 g/mol
Exact Mass343.14
IUPAC Name1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
SMILESCc1ccc(/C(C=CSc2cccc(C)c2)=N/c2ccccc2)cc1
InChIInChI=1S/C23H21NS/c1-18-11-13-20(14-12-18)23(24-21-8-4-3-5-9-21)15-16-25-22-10-6-7-19(2)17-22/h3-17H,1-2H3/b16-15?,24-23+
InChIKeyOLAAFYMKBMAAFA-ODZDDEARSA-N
XLogP6.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.50
LogP ≤ 56.73
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

3-(4-bromophenyl)sulfanyl-1-(4-methylphenyl)-N-phenylprop-2-en-1-imine
CID 90986507
(E)-3-(3-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine
CID 25262144
(E)-1-(4-chlorophenyl)-3-(2,4-dimethylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 25261995
phenyl 3-(3-methylphenyl)sulfanyl-N-phenylprop-2-enimidate
CID 91159883
1-(3-chlorophenyl)-3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 91164715
3-(4-bromophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine
CID 74438019
1-(2,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 91015927
(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 25261838
(E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 25261997
3-(4-bromophenyl)sulfanyl-1-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine
CID 91104973
(E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine
CID 87604088
benzyl N-(4-methylphenyl)-3-phenylsulfanylprop-2-enimidothioate
CID 140521534

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine?
The IUPAC name of 1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine (CID 91197103) is 1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine.
What is the SMILES notation for 1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine?
The canonical SMILES for 1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine is Cc1ccc(/C(C=CSc2cccc(C)c2)=N/c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine?
The InChIKey is OLAAFYMKBMAAFA-ODZDDEARSA-N. The full InChI is InChI=1S/C23H21NS/c1-18-11-13-20(14-12-18)23(24-21-8-4-3-5-9-21)15-16-25-22-10-6-7-19(2)17-22/h3-17H,1-2H3/b16-15?,24-23+.
What are the key properties of 1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine?
1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine has a molecular weight of 343.50 g/mol, XLogP of 6.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine is sourced from PubChem (CID 91197103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).