1-ethyl-3-(2-methoxyethyl)thiourea

C6H14N2OS — CID 19650598

IUPAC1-ethyl-3-(2-methoxyethyl)thiourea
SMILESCCNC(=S)NCCOC
InChIInChI=1S/C6H14N2OS/c1-3-7-6(10)8-4-5-9-2/h3-5H2,1-2H3,(H2,7,8,10)
InChIKeyBAUUHTMZUUQZDX-UHFFFAOYSA-N
MW162.26 g/mol
LogP0.12
Rot. Bonds4

About 1-ethyl-3-(2-methoxyethyl)thiourea

1-ethyl-3-(2-methoxyethyl)thiourea (PubChem CID 19650598) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxyethyl)thiourea
PubChem CID19650598
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name1-ethyl-3-(2-methoxyethyl)thiourea
SMILESCCNC(=S)NCCOC
InChIInChI=1S/C6H14N2OS/c1-3-7-6(10)8-4-5-9-2/h3-5H2,1-2H3,(H2,7,8,10)
InChIKeyBAUUHTMZUUQZDX-UHFFFAOYSA-N
XLogP0.12
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-ethyl-3-(2-methoxyethyl)thiourea (CID 19650598) is 1-ethyl-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-ethyl-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-ethyl-3-(2-methoxyethyl)thiourea is CCNC(=S)NCCOC.
What is the InChIKey of 1-ethyl-3-(2-methoxyethyl)thiourea?
The InChIKey is BAUUHTMZUUQZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-3-7-6(10)8-4-5-9-2/h3-5H2,1-2H3,(H2,7,8,10).
What are the key properties of 1-ethyl-3-(2-methoxyethyl)thiourea?
1-ethyl-3-(2-methoxyethyl)thiourea has a molecular weight of 162.26 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 19650598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).