2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide

C15H15BrN2OS — CID 107284685

IUPAC2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Oc2cc(Br)ccc2C)cccc1SC
InChIInChI=1S/C15H15BrN2OS/c1-9-6-7-10(16)8-12(9)19-11-4-3-5-13(20-2)14(11)15(17)18/h3-8H,1-2H3,(H3,17,18)
InChIKeyYJCYVFUWTPNROU-UHFFFAOYSA-N
MW351.27 g/mol
LogP4.56
Rot. Bonds4

About 2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide

2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide (PubChem CID 107284685) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide
PubChem CID107284685
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Oc2cc(Br)ccc2C)cccc1SC
InChIInChI=1S/C15H15BrN2OS/c1-9-6-7-10(16)8-12(9)19-11-4-3-5-13(20-2)14(11)15(17)18/h3-8H,1-2H3,(H3,17,18)
InChIKeyYJCYVFUWTPNROU-UHFFFAOYSA-N
XLogP4.56
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-methylsulfanylbenzenecarboximidamide
CID 114884401
2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide
CID 79520393
2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 79517566
2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
CID 114673561
4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide
CID 107284677
5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 114893289
2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide
CID 116792841
2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide
CID 104562371
1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol
CID 107284910
2-(2-cyclopropylethoxy)-6-methylsulfanylbenzenecarboximidamide
CID 114157522
5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide
CID 63649514
[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine
CID 107283243

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide (CID 107284685) is 2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide is [H]/N=C(\N)c1c(Oc2cc(Br)ccc2C)cccc1SC.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide?
The InChIKey is YJCYVFUWTPNROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-9-6-7-10(16)8-12(9)19-11-4-3-5-13(20-2)14(11)15(17)18/h3-8H,1-2H3,(H3,17,18).
What are the key properties of 2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide?
2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide has a molecular weight of 351.27 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 107284685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).