1-methoxyethylthiourea

C4H10N2OS — CID 87834727

IUPAC1-methoxyethylthiourea
SMILESCOC(C)NC(N)=S
InChIInChI=1S/C4H10N2OS/c1-3(7-2)6-4(5)8/h3H,1-2H3,(H3,5,6,8)
InChIKeyHFCWDOCWWPYAFR-UHFFFAOYSA-N
MW134.20 g/mol
LogP-0.19
Rot. Bonds2

About 1-methoxyethylthiourea

1-methoxyethylthiourea (PubChem CID 87834727) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is 1-methoxyethylthiourea.

Molecular Properties

Compound Name1-methoxyethylthiourea
PubChem CID87834727
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC Name1-methoxyethylthiourea
SMILESCOC(C)NC(N)=S
InChIInChI=1S/C4H10N2OS/c1-3(7-2)6-4(5)8/h3H,1-2H3,(H3,5,6,8)
InChIKeyHFCWDOCWWPYAFR-UHFFFAOYSA-N
XLogP-0.19
TPSA47.28 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 ≤ 5-0.19
H-Bond Donors ≤ 52
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 1-methoxyethylthiourea?
The IUPAC name of 1-methoxyethylthiourea (CID 87834727) is 1-methoxyethylthiourea.
What is the SMILES notation for 1-methoxyethylthiourea?
The canonical SMILES for 1-methoxyethylthiourea is COC(C)NC(N)=S.
What is the InChIKey of 1-methoxyethylthiourea?
The InChIKey is HFCWDOCWWPYAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c1-3(7-2)6-4(5)8/h3H,1-2H3,(H3,5,6,8).
What are the key properties of 1-methoxyethylthiourea?
1-methoxyethylthiourea has a molecular weight of 134.20 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethylthiourea is sourced from PubChem (CID 87834727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).