1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea

C15H15BrN2OS — CID 112839711

IUPAC1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C15H15BrN2OS/c1-10-8-11(16)6-7-14(10)18-15(19)17-12-4-3-5-13(9-12)20-2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyPXWNBZPBOZWDPL-UHFFFAOYSA-N
MW351.27 g/mol
LogP5.12
Rot. Bonds3

About 1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea

1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea (PubChem CID 112839711) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
PubChem CID112839711
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C15H15BrN2OS/c1-10-8-11(16)6-7-14(10)18-15(19)17-12-4-3-5-13(9-12)20-2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyPXWNBZPBOZWDPL-UHFFFAOYSA-N
XLogP5.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.27
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methylphenyl)-3-(3-fluorophenyl)urea
CID 54911411
1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 56610085
1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839629
1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61341059
1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea
CID 17262139
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839665
1-[3,5-dibromo-2-(hydroxymethyl)phenyl]-3-(3-methylsulfanylphenyl)urea
CID 156854654
1-(4-bromo-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126030
2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide
CID 1020120
N'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide
CID 108526648
1-(2,6-diethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839944

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea (CID 112839711) is 1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea is CSc1cccc(NC(=O)Nc2ccc(Br)cc2C)c1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea?
The InChIKey is PXWNBZPBOZWDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-10-8-11(16)6-7-14(10)18-15(19)17-12-4-3-5-13(9-12)20-2/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea?
1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea has a molecular weight of 351.27 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 112839711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).