(Z)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methoxyethanimine

C16H15Cl2NOS — CID 20850456

IUPAC(Z)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methoxyethanimine
SMILESCO/N=C(\CSCc1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NOS/c1-20-19-16(13-5-7-14(17)8-6-13)11-21-10-12-3-2-4-15(18)9-12/h2-9H,10-11H2,1H3/b19-16+
InChIKeyQBLJFMMRNJLOOO-KNTRCKAVSA-N
MW340.28 g/mol
LogP5.28
Rot. Bonds6

About (Z)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methoxyethanimine

(Z)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methoxyethanimine (PubChem CID 20850456) has the molecular formula C16H15Cl2NOS and a molecular weight of 340.28 g/mol. Its IUPAC name is (Z)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methoxyethanimine.

Molecular Properties

Compound Name(Z)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methoxyethanimine
PubChem CID20850456
Molecular FormulaC16H15Cl2NOS
Molecular Weight340.28 g/mol
Exact Mass339.03
IUPAC Name(Z)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methoxyethanimine
SMILESCO/N=C(\CSCc1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NOS/c1-20-19-16(13-5-7-14(17)8-6-13)11-21-10-12-3-2-4-15(18)9-12/h2-9H,10-11H2,1H3/b19-16+
InChIKeyQBLJFMMRNJLOOO-KNTRCKAVSA-N
XLogP5.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.28
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[(3-chlorophenyl)methylsulfanyl]acetate
CID 78973307
2-(3-chlorophenyl)-2-methoxyiminoethanol
CID 54343986
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2-[(3-chlorophenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 893713
N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 2711464
N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 9475924
N-(5-chloro-2-hydroxyphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 56581526
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide
CID 9179466
2-[(3-chlorophenyl)methylsulfanyl]ethanamine;hydrochloride
CID 18526229
2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 40713437
1-chloro-3-[[(3-chlorophenyl)methyldisulfanyl]methyl]benzene
CID 45377271

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methoxyethanimine?
The IUPAC name of (Z)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methoxyethanimine (CID 20850456) is (Z)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methoxyethanimine.
What is the SMILES notation for (Z)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methoxyethanimine?
The canonical SMILES for (Z)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methoxyethanimine is CO/N=C(\CSCc1cccc(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methoxyethanimine?
The InChIKey is QBLJFMMRNJLOOO-KNTRCKAVSA-N. The full InChI is InChI=1S/C16H15Cl2NOS/c1-20-19-16(13-5-7-14(17)8-6-13)11-21-10-12-3-2-4-15(18)9-12/h2-9H,10-11H2,1H3/b19-16+.
What are the key properties of (Z)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methoxyethanimine?
(Z)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methoxyethanimine has a molecular weight of 340.28 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methoxyethanimine is sourced from PubChem (CID 20850456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).