3-(1-ethoxyethyl)-1,1-diethylthiourea

C9H20N2OS — CID 15322499

IUPAC3-(1-ethoxyethyl)-1,1-diethylthiourea
SMILESCCOC(C)NC(=S)N(CC)CC
InChIInChI=1S/C9H20N2OS/c1-5-11(6-2)9(13)10-8(4)12-7-3/h8H,5-7H2,1-4H3,(H,10,13)
InChIKeyGWAPBVNCPMRRHG-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.59
Rot. Bonds5

About 3-(1-ethoxyethyl)-1,1-diethylthiourea

3-(1-ethoxyethyl)-1,1-diethylthiourea (PubChem CID 15322499) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 3-(1-ethoxyethyl)-1,1-diethylthiourea.

Molecular Properties

Compound Name3-(1-ethoxyethyl)-1,1-diethylthiourea
PubChem CID15322499
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name3-(1-ethoxyethyl)-1,1-diethylthiourea
SMILESCCOC(C)NC(=S)N(CC)CC
InChIInChI=1S/C9H20N2OS/c1-5-11(6-2)9(13)10-8(4)12-7-3/h8H,5-7H2,1-4H3,(H,10,13)
InChIKeyGWAPBVNCPMRRHG-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethyl)-1,1-diethylthiourea?
The IUPAC name of 3-(1-ethoxyethyl)-1,1-diethylthiourea (CID 15322499) is 3-(1-ethoxyethyl)-1,1-diethylthiourea.
What is the SMILES notation for 3-(1-ethoxyethyl)-1,1-diethylthiourea?
The canonical SMILES for 3-(1-ethoxyethyl)-1,1-diethylthiourea is CCOC(C)NC(=S)N(CC)CC.
What is the InChIKey of 3-(1-ethoxyethyl)-1,1-diethylthiourea?
The InChIKey is GWAPBVNCPMRRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-5-11(6-2)9(13)10-8(4)12-7-3/h8H,5-7H2,1-4H3,(H,10,13).
What are the key properties of 3-(1-ethoxyethyl)-1,1-diethylthiourea?
3-(1-ethoxyethyl)-1,1-diethylthiourea has a molecular weight of 204.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethyl)-1,1-diethylthiourea is sourced from PubChem (CID 15322499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).