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

C15H15ClN2OS — CID 1298428

IUPAC1-(3-chloro-2-methylphenyl)-3-(2-methylsulfanylphenyl)urea
SMILESCSc1ccccc1NC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C15H15ClN2OS/c1-10-11(16)6-5-8-12(10)17-15(19)18-13-7-3-4-9-14(13)20-2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyMXFZVMXWLDCGHD-UHFFFAOYSA-N
MW306.82 g/mol
LogP5.01
Rot. Bonds3

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

1-(3-chloro-2-methylphenyl)-3-(2-methylsulfanylphenyl)urea (PubChem CID 1298428) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-(2-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-(2-methylsulfanylphenyl)urea
PubChem CID1298428
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name1-(3-chloro-2-methylphenyl)-3-(2-methylsulfanylphenyl)urea
SMILESCSc1ccccc1NC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C15H15ClN2OS/c1-10-11(16)6-5-8-12(10)17-15(19)18-13-7-3-4-9-14(13)20-2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyMXFZVMXWLDCGHD-UHFFFAOYSA-N
XLogP5.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.82
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(2-methylsulfanylphenyl)urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(2-methylsulfanylphenyl)urea (CID 1298428) is 1-(3-chloro-2-methylphenyl)-3-(2-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-(2-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-(2-methylsulfanylphenyl)urea is CSc1ccccc1NC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-(2-methylsulfanylphenyl)urea?
The InChIKey is MXFZVMXWLDCGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-10-11(16)6-5-8-12(10)17-15(19)18-13-7-3-4-9-14(13)20-2/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-(2-methylsulfanylphenyl)urea?
1-(3-chloro-2-methylphenyl)-3-(2-methylsulfanylphenyl)urea has a molecular weight of 306.82 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-(2-methylsulfanylphenyl)urea is sourced from PubChem (CID 1298428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).