1-ethyl-3-(2-methoxydibenzofuran-3-yl)thiourea

C16H16N2O2S — CID 8017260

IUPAC1-ethyl-3-(2-methoxydibenzofuran-3-yl)thiourea
SMILESCCNC(=S)Nc1cc2oc3ccccc3c2cc1OC
InChIInChI=1S/C16H16N2O2S/c1-3-17-16(21)18-12-9-14-11(8-15(12)19-2)10-6-4-5-7-13(10)20-14/h4-9H,3H2,1-2H3,(H2,17,18,21)
InChIKeyZTKHNLMNWGJUHR-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.90
Rot. Bonds3

About 1-ethyl-3-(2-methoxydibenzofuran-3-yl)thiourea

1-ethyl-3-(2-methoxydibenzofuran-3-yl)thiourea (PubChem CID 8017260) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxydibenzofuran-3-yl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxydibenzofuran-3-yl)thiourea
PubChem CID8017260
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name1-ethyl-3-(2-methoxydibenzofuran-3-yl)thiourea
SMILESCCNC(=S)Nc1cc2oc3ccccc3c2cc1OC
InChIInChI=1S/C16H16N2O2S/c1-3-17-16(21)18-12-9-14-11(8-15(12)19-2)10-6-4-5-7-13(10)20-14/h4-9H,3H2,1-2H3,(H2,17,18,21)
InChIKeyZTKHNLMNWGJUHR-UHFFFAOYSA-N
XLogP3.90
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxydibenzofuran-3-yl)thiourea?
The IUPAC name of 1-ethyl-3-(2-methoxydibenzofuran-3-yl)thiourea (CID 8017260) is 1-ethyl-3-(2-methoxydibenzofuran-3-yl)thiourea.
What is the SMILES notation for 1-ethyl-3-(2-methoxydibenzofuran-3-yl)thiourea?
The canonical SMILES for 1-ethyl-3-(2-methoxydibenzofuran-3-yl)thiourea is CCNC(=S)Nc1cc2oc3ccccc3c2cc1OC.
What is the InChIKey of 1-ethyl-3-(2-methoxydibenzofuran-3-yl)thiourea?
The InChIKey is ZTKHNLMNWGJUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-17-16(21)18-12-9-14-11(8-15(12)19-2)10-6-4-5-7-13(10)20-14/h4-9H,3H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-ethyl-3-(2-methoxydibenzofuran-3-yl)thiourea?
1-ethyl-3-(2-methoxydibenzofuran-3-yl)thiourea has a molecular weight of 300.38 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxydibenzofuran-3-yl)thiourea is sourced from PubChem (CID 8017260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).