1-(5-bromo-2-methylsulfanylphenyl)-N-methoxymethanimine

C9H10BrNOS — CID 86650828

IUPAC1-(5-bromo-2-methylsulfanylphenyl)-N-methoxymethanimine
SMILESCON=Cc1cc(Br)ccc1SC
InChIInChI=1S/C9H10BrNOS/c1-12-11-6-7-5-8(10)3-4-9(7)13-2/h3-6H,1-2H3
InChIKeyJWUWIPUUBGFKGS-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.15
Rot. Bonds3

About 1-(5-bromo-2-methylsulfanylphenyl)-N-methoxymethanimine

1-(5-bromo-2-methylsulfanylphenyl)-N-methoxymethanimine (PubChem CID 86650828) has the molecular formula C9H10BrNOS and a molecular weight of 260.16 g/mol. Its IUPAC name is 1-(5-bromo-2-methylsulfanylphenyl)-N-methoxymethanimine.

Molecular Properties

Compound Name1-(5-bromo-2-methylsulfanylphenyl)-N-methoxymethanimine
PubChem CID86650828
Molecular FormulaC9H10BrNOS
Molecular Weight260.16 g/mol
Exact Mass258.97
IUPAC Name1-(5-bromo-2-methylsulfanylphenyl)-N-methoxymethanimine
SMILESCON=Cc1cc(Br)ccc1SC
InChIInChI=1S/C9H10BrNOS/c1-12-11-6-7-5-8(10)3-4-9(7)13-2/h3-6H,1-2H3
InChIKeyJWUWIPUUBGFKGS-UHFFFAOYSA-N
XLogP3.15
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.15
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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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylsulfanylphenyl)-N-methoxymethanimine?
The IUPAC name of 1-(5-bromo-2-methylsulfanylphenyl)-N-methoxymethanimine (CID 86650828) is 1-(5-bromo-2-methylsulfanylphenyl)-N-methoxymethanimine.
What is the SMILES notation for 1-(5-bromo-2-methylsulfanylphenyl)-N-methoxymethanimine?
The canonical SMILES for 1-(5-bromo-2-methylsulfanylphenyl)-N-methoxymethanimine is CON=Cc1cc(Br)ccc1SC.
What is the InChIKey of 1-(5-bromo-2-methylsulfanylphenyl)-N-methoxymethanimine?
The InChIKey is JWUWIPUUBGFKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNOS/c1-12-11-6-7-5-8(10)3-4-9(7)13-2/h3-6H,1-2H3.
What are the key properties of 1-(5-bromo-2-methylsulfanylphenyl)-N-methoxymethanimine?
1-(5-bromo-2-methylsulfanylphenyl)-N-methoxymethanimine has a molecular weight of 260.16 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylsulfanylphenyl)-N-methoxymethanimine is sourced from PubChem (CID 86650828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).