1-ethoxy-3-methylthiourea

C4H10N2OS — CID 131004188

IUPAC1-ethoxy-3-methylthiourea
SMILESCCONC(=S)NC
InChIInChI=1S/C4H10N2OS/c1-3-7-6-4(8)5-2/h3H2,1-2H3,(H2,5,6,8)
InChIKeyFGADPIKDJDVTTN-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.03
Rot. Bonds2

About 1-ethoxy-3-methylthiourea

1-ethoxy-3-methylthiourea (PubChem CID 131004188) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is 1-ethoxy-3-methylthiourea.

Molecular Properties

Compound Name1-ethoxy-3-methylthiourea
PubChem CID131004188
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC Name1-ethoxy-3-methylthiourea
SMILESCCONC(=S)NC
InChIInChI=1S/C4H10N2OS/c1-3-7-6-4(8)5-2/h3H2,1-2H3,(H2,5,6,8)
InChIKeyFGADPIKDJDVTTN-UHFFFAOYSA-N
XLogP0.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methylthiourea?
The IUPAC name of 1-ethoxy-3-methylthiourea (CID 131004188) is 1-ethoxy-3-methylthiourea.
What is the SMILES notation for 1-ethoxy-3-methylthiourea?
The canonical SMILES for 1-ethoxy-3-methylthiourea is CCONC(=S)NC.
What is the InChIKey of 1-ethoxy-3-methylthiourea?
The InChIKey is FGADPIKDJDVTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c1-3-7-6-4(8)5-2/h3H2,1-2H3,(H2,5,6,8).
What are the key properties of 1-ethoxy-3-methylthiourea?
1-ethoxy-3-methylthiourea has a molecular weight of 134.20 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methylthiourea is sourced from PubChem (CID 131004188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).