1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea

C15H16N2OS — CID 108886354

IUPAC1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccccc2S)c(C)c1
InChIInChI=1S/C15H16N2OS/c1-10-7-8-12(11(2)9-10)16-15(18)17-13-5-3-4-6-14(13)19/h3-9,19H,1-2H3,(H2,16,17,18)
InChIKeyJGLSRBBPKXTUGZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.24
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea

1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea (PubChem CID 108886354) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea
PubChem CID108886354
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccccc2S)c(C)c1
InChIInChI=1S/C15H16N2OS/c1-10-7-8-12(11(2)9-10)16-15(18)17-13-5-3-4-6-14(13)19/h3-9,19H,1-2H3,(H2,16,17,18)
InChIKeyJGLSRBBPKXTUGZ-UHFFFAOYSA-N
XLogP4.24
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea
CID 7616071
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide
CID 23932880
1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991287
1-(2,4-dimethylphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108991302
1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea
CID 108872887
1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 40629630
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890301
1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea
CID 61341644

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea (CID 108886354) is 1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea is Cc1ccc(NC(=O)Nc2ccccc2S)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea?
The InChIKey is JGLSRBBPKXTUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10-7-8-12(11(2)9-10)16-15(18)17-13-5-3-4-6-14(13)19/h3-9,19H,1-2H3,(H2,16,17,18).
What are the key properties of 1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea?
1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea has a molecular weight of 272.37 g/mol, XLogP of 4.24, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea is sourced from PubChem (CID 108886354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).