2,4-dichloro-6-[2-[(2-chlorophenyl)methylsulfanyl]ethyliminomethyl]phenol

C16H14Cl3NOS — CID 2742028

IUPAC2,4-dichloro-6-[2-[(2-chlorophenyl)methylsulfanyl]ethyliminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/CCSCc1ccccc1Cl
InChIInChI=1S/C16H14Cl3NOS/c17-13-7-12(16(21)15(19)8-13)9-20-5-6-22-10-11-3-1-2-4-14(11)18/h1-4,7-9,21H,5-6,10H2/b20-9+
InChIKeyIYMBRKQRRYIRHD-AWQFTUOYSA-N
MW374.72 g/mol
LogP5.70
Rot. Bonds6

About 2,4-dichloro-6-[2-[(2-chlorophenyl)methylsulfanyl]ethyliminomethyl]phenol

2,4-dichloro-6-[2-[(2-chlorophenyl)methylsulfanyl]ethyliminomethyl]phenol (PubChem CID 2742028) has the molecular formula C16H14Cl3NOS and a molecular weight of 374.72 g/mol. Its IUPAC name is 2,4-dichloro-6-[2-[(2-chlorophenyl)methylsulfanyl]ethyliminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[2-[(2-chlorophenyl)methylsulfanyl]ethyliminomethyl]phenol
PubChem CID2742028
Molecular FormulaC16H14Cl3NOS
Molecular Weight374.72 g/mol
Exact Mass372.99
IUPAC Name2,4-dichloro-6-[2-[(2-chlorophenyl)methylsulfanyl]ethyliminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/CCSCc1ccccc1Cl
InChIInChI=1S/C16H14Cl3NOS/c17-13-7-12(16(21)15(19)8-13)9-20-5-6-22-10-11-3-1-2-4-14(11)18/h1-4,7-9,21H,5-6,10H2/b20-9+
InChIKeyIYMBRKQRRYIRHD-AWQFTUOYSA-N
XLogP5.70
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.72
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[2-[(2-chlorophenyl)methylsulfanyl]ethyliminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[2-[(2-chlorophenyl)methylsulfanyl]ethyliminomethyl]phenol (CID 2742028) is 2,4-dichloro-6-[2-[(2-chlorophenyl)methylsulfanyl]ethyliminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[2-[(2-chlorophenyl)methylsulfanyl]ethyliminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[2-[(2-chlorophenyl)methylsulfanyl]ethyliminomethyl]phenol is Oc1c(Cl)cc(Cl)cc1/C=N/CCSCc1ccccc1Cl.
What is the InChIKey of 2,4-dichloro-6-[2-[(2-chlorophenyl)methylsulfanyl]ethyliminomethyl]phenol?
The InChIKey is IYMBRKQRRYIRHD-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H14Cl3NOS/c17-13-7-12(16(21)15(19)8-13)9-20-5-6-22-10-11-3-1-2-4-14(11)18/h1-4,7-9,21H,5-6,10H2/b20-9+.
What are the key properties of 2,4-dichloro-6-[2-[(2-chlorophenyl)methylsulfanyl]ethyliminomethyl]phenol?
2,4-dichloro-6-[2-[(2-chlorophenyl)methylsulfanyl]ethyliminomethyl]phenol has a molecular weight of 374.72 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[2-[(2-chlorophenyl)methylsulfanyl]ethyliminomethyl]phenol is sourced from PubChem (CID 2742028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).