2-(2,5-dibromophenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine

C15H15Br2N3S — CID 10788689

IUPAC2-(2,5-dibromophenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine
SMILESCSc1cccc(N(C)/C(N)=N/c2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H15Br2N3S/c1-20(11-4-3-5-12(9-11)21-2)15(18)19-14-8-10(16)6-7-13(14)17/h3-9H,1-2H3,(H2,18,19)
InChIKeyBAMMXDIZDMDKOU-UHFFFAOYSA-N
MW429.18 g/mol
LogP5.02
Rot. Bonds3

About 2-(2,5-dibromophenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine

2-(2,5-dibromophenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine (PubChem CID 10788689) has the molecular formula C15H15Br2N3S and a molecular weight of 429.18 g/mol. Its IUPAC name is 2-(2,5-dibromophenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine.

Molecular Properties

Compound Name2-(2,5-dibromophenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine
PubChem CID10788689
Molecular FormulaC15H15Br2N3S
Molecular Weight429.18 g/mol
Exact Mass426.94
IUPAC Name2-(2,5-dibromophenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine
SMILESCSc1cccc(N(C)/C(N)=N/c2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H15Br2N3S/c1-20(11-4-3-5-12(9-11)21-2)15(18)19-14-8-10(16)6-7-13(14)17/h3-9H,1-2H3,(H2,18,19)
InChIKeyBAMMXDIZDMDKOU-UHFFFAOYSA-N
XLogP5.02
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.18
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,5-dibromophenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromophenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine?
The IUPAC name of 2-(2,5-dibromophenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine (CID 10788689) is 2-(2,5-dibromophenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine.
What is the SMILES notation for 2-(2,5-dibromophenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine?
The canonical SMILES for 2-(2,5-dibromophenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine is CSc1cccc(N(C)/C(N)=N/c2cc(Br)ccc2Br)c1.
What is the InChIKey of 2-(2,5-dibromophenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine?
The InChIKey is BAMMXDIZDMDKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2N3S/c1-20(11-4-3-5-12(9-11)21-2)15(18)19-14-8-10(16)6-7-13(14)17/h3-9H,1-2H3,(H2,18,19).
What are the key properties of 2-(2,5-dibromophenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine?
2-(2,5-dibromophenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine has a molecular weight of 429.18 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromophenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine is sourced from PubChem (CID 10788689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).