1-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)urea

C14H13ClN2OS — CID 2243648

IUPAC1-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)urea
SMILESCSc1ccccc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2OS/c1-19-13-5-3-2-4-12(13)17-14(18)16-11-8-6-10(15)7-9-11/h2-9H,1H3,(H2,16,17,18)
InChIKeyNGGAOUVCBSRDEF-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.71
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)urea

1-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)urea (PubChem CID 2243648) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)urea
PubChem CID2243648
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name1-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)urea
SMILESCSc1ccccc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2OS/c1-19-13-5-3-2-4-12(13)17-14(18)16-11-8-6-10(15)7-9-11/h2-9H,1H3,(H2,16,17,18)
InChIKeyNGGAOUVCBSRDEF-UHFFFAOYSA-N
XLogP4.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)urea (CID 2243648) is 1-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)urea is CSc1ccccc1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)urea?
The InChIKey is NGGAOUVCBSRDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-19-13-5-3-2-4-12(13)17-14(18)16-11-8-6-10(15)7-9-11/h2-9H,1H3,(H2,16,17,18).
What are the key properties of 1-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)urea?
1-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)urea has a molecular weight of 292.79 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)urea is sourced from PubChem (CID 2243648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).