1-(2-methylsulfanylphenyl)-3-propylurea

C11H16N2OS — CID 6464933

IUPAC1-(2-methylsulfanylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1ccccc1SC
InChIInChI=1S/C11H16N2OS/c1-3-8-12-11(14)13-9-6-4-5-7-10(9)15-2/h4-7H,3,8H2,1-2H3,(H2,12,13,14)
InChIKeyCTSUPGMXUIWSES-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.94
Rot. Bonds4

About 1-(2-methylsulfanylphenyl)-3-propylurea

1-(2-methylsulfanylphenyl)-3-propylurea (PubChem CID 6464933) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)-3-propylurea.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)-3-propylurea
PubChem CID6464933
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-(2-methylsulfanylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1ccccc1SC
InChIInChI=1S/C11H16N2OS/c1-3-8-12-11(14)13-9-6-4-5-7-10(9)15-2/h4-7H,3,8H2,1-2H3,(H2,12,13,14)
InChIKeyCTSUPGMXUIWSES-UHFFFAOYSA-N
XLogP2.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)-3-propylurea?
The IUPAC name of 1-(2-methylsulfanylphenyl)-3-propylurea (CID 6464933) is 1-(2-methylsulfanylphenyl)-3-propylurea.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)-3-propylurea?
The canonical SMILES for 1-(2-methylsulfanylphenyl)-3-propylurea is CCCNC(=O)Nc1ccccc1SC.
What is the InChIKey of 1-(2-methylsulfanylphenyl)-3-propylurea?
The InChIKey is CTSUPGMXUIWSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-3-8-12-11(14)13-9-6-4-5-7-10(9)15-2/h4-7H,3,8H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(2-methylsulfanylphenyl)-3-propylurea?
1-(2-methylsulfanylphenyl)-3-propylurea has a molecular weight of 224.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)-3-propylurea is sourced from PubChem (CID 6464933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).