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

C15H16N2OS — CID 56610085

IUPAC1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C15H16N2OS/c1-11-6-3-4-9-14(11)17-15(18)16-12-7-5-8-13(10-12)19-2/h3-10H,1-2H3,(H2,16,17,18)
InChIKeyGYGJRXLHHGDCDW-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.36
Rot. Bonds3

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

1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea (PubChem CID 56610085) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
PubChem CID56610085
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C15H16N2OS/c1-11-6-3-4-9-14(11)17-15(18)16-12-7-5-8-13(10-12)19-2/h3-10H,1-2H3,(H2,16,17,18)
InChIKeyGYGJRXLHHGDCDW-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839629
1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839711
1-[2-[[4-methyl-3-[(3-methylsulfanylphenyl)carbamoylamino]phenyl]methyl]phenyl]-3-(4-methylsulfanylphenyl)urea
CID 134232357
1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839665
[3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium
CID 148876031
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
1-(2,6-diethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839944
1-(2-methoxy-5-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 51062441
1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea
CID 127577317
1-(3-methylsulfanylphenyl)-3-(2-pyrazol-1-ylphenyl)urea
CID 112840099

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea (CID 56610085) is 1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea is CSc1cccc(NC(=O)Nc2ccccc2C)c1.
What is the InChIKey of 1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea?
The InChIKey is GYGJRXLHHGDCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-6-3-4-9-14(11)17-15(18)16-12-7-5-8-13(10-12)19-2/h3-10H,1-2H3,(H2,16,17,18).
What are the key properties of 1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea?
1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea has a molecular weight of 272.37 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 56610085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).