(E)-1-(4-chlorophenyl)-3-(2,4-dimethylphenyl)sulfanyl-N-phenylprop-2-en-1-imine

C23H20ClNS — CID 25261995

IUPAC(E)-1-(4-chlorophenyl)-3-(2,4-dimethylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
SMILESCc1ccc(S/C=C/C(=N/c2ccccc2)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C23H20ClNS/c1-17-8-13-23(18(2)16-17)26-15-14-22(19-9-11-20(24)12-10-19)25-21-6-4-3-5-7-21/h3-16H,1-2H3/b15-14+,25-22-
InChIKeyBPGNOSMMCSCEHE-ZYAJNOEKSA-N
MW377.94 g/mol
LogP7.38
Rot. Bonds5

About (E)-1-(4-chlorophenyl)-3-(2,4-dimethylphenyl)sulfanyl-N-phenylprop-2-en-1-imine

(E)-1-(4-chlorophenyl)-3-(2,4-dimethylphenyl)sulfanyl-N-phenylprop-2-en-1-imine (PubChem CID 25261995) has the molecular formula C23H20ClNS and a molecular weight of 377.94 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-3-(2,4-dimethylphenyl)sulfanyl-N-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-3-(2,4-dimethylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
PubChem CID25261995
Molecular FormulaC23H20ClNS
Molecular Weight377.94 g/mol
Exact Mass377.10
IUPAC Name(E)-1-(4-chlorophenyl)-3-(2,4-dimethylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
SMILESCc1ccc(S/C=C/C(=N/c2ccccc2)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C23H20ClNS/c1-17-8-13-23(18(2)16-17)26-15-14-22(19-9-11-20(24)12-10-19)25-21-6-4-3-5-7-21/h3-16H,1-2H3/b15-14+,25-22-
InChIKeyBPGNOSMMCSCEHE-ZYAJNOEKSA-N
XLogP7.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.94
LogP ≤ 57.38
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

(E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 25261997
1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 91197103
(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 25261838
3-(4-bromophenyl)sulfanyl-1-(4-methylphenyl)-N-phenylprop-2-en-1-imine
CID 90986507
benzyl 3-(2,4-dimethylphenyl)sulfanyl-N-phenylprop-2-enimidothioate
CID 140521505
1-(2,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 91015927
(E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine
CID 87604088
3-(4-bromophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine
CID 74438019
1-(3-chlorophenyl)-3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 91164715
3-(4-bromophenyl)sulfanyl-1-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine
CID 91104973
(E)-3-(3-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine
CID 25262144
(E)-1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine
CID 87603435

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-3-(2,4-dimethylphenyl)sulfanyl-N-phenylprop-2-en-1-imine?
The IUPAC name of (E)-1-(4-chlorophenyl)-3-(2,4-dimethylphenyl)sulfanyl-N-phenylprop-2-en-1-imine (CID 25261995) is (E)-1-(4-chlorophenyl)-3-(2,4-dimethylphenyl)sulfanyl-N-phenylprop-2-en-1-imine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-3-(2,4-dimethylphenyl)sulfanyl-N-phenylprop-2-en-1-imine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-3-(2,4-dimethylphenyl)sulfanyl-N-phenylprop-2-en-1-imine is Cc1ccc(S/C=C/C(=N/c2ccccc2)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-3-(2,4-dimethylphenyl)sulfanyl-N-phenylprop-2-en-1-imine?
The InChIKey is BPGNOSMMCSCEHE-ZYAJNOEKSA-N. The full InChI is InChI=1S/C23H20ClNS/c1-17-8-13-23(18(2)16-17)26-15-14-22(19-9-11-20(24)12-10-19)25-21-6-4-3-5-7-21/h3-16H,1-2H3/b15-14+,25-22-.
What are the key properties of (E)-1-(4-chlorophenyl)-3-(2,4-dimethylphenyl)sulfanyl-N-phenylprop-2-en-1-imine?
(E)-1-(4-chlorophenyl)-3-(2,4-dimethylphenyl)sulfanyl-N-phenylprop-2-en-1-imine has a molecular weight of 377.94 g/mol, XLogP of 7.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-3-(2,4-dimethylphenyl)sulfanyl-N-phenylprop-2-en-1-imine is sourced from PubChem (CID 25261995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).