ethoxyethane;methylthiourea

C6H16N2OS — CID 88810952

IUPACethoxyethane;methylthiourea
SMILESCCOCC.CNC(N)=S
InChIInChI=1S/C4H10O.C2H6N2S/c1-3-5-4-2;1-4-2(3)5/h3-4H2,1-2H3;1H3,(H3,3,4,5)
InChIKeyYWFYZMIVDAMYQM-UHFFFAOYSA-N
MW164.27 g/mol
LogP0.49
Rot. Bonds2

About ethoxyethane;methylthiourea

ethoxyethane;methylthiourea (PubChem CID 88810952) has the molecular formula C6H16N2OS and a molecular weight of 164.27 g/mol. Its IUPAC name is ethoxyethane;methylthiourea.

Molecular Properties

Compound Nameethoxyethane;methylthiourea
PubChem CID88810952
Molecular FormulaC6H16N2OS
Molecular Weight164.27 g/mol
Exact Mass164.10
IUPAC Nameethoxyethane;methylthiourea
SMILESCCOCC.CNC(N)=S
InChIInChI=1S/C4H10O.C2H6N2S/c1-3-5-4-2;1-4-2(3)5/h3-4H2,1-2H3;1H3,(H3,3,4,5)
InChIKeyYWFYZMIVDAMYQM-UHFFFAOYSA-N
XLogP0.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 ethoxyethane;methylthiourea?
The IUPAC name of ethoxyethane;methylthiourea (CID 88810952) is ethoxyethane;methylthiourea.
What is the SMILES notation for ethoxyethane;methylthiourea?
The canonical SMILES for ethoxyethane;methylthiourea is CCOCC.CNC(N)=S.
What is the InChIKey of ethoxyethane;methylthiourea?
The InChIKey is YWFYZMIVDAMYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H6N2S/c1-3-5-4-2;1-4-2(3)5/h3-4H2,1-2H3;1H3,(H3,3,4,5).
What are the key properties of ethoxyethane;methylthiourea?
ethoxyethane;methylthiourea has a molecular weight of 164.27 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;methylthiourea is sourced from PubChem (CID 88810952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).