ethoxymethylthiourea

C4H10N2OS — CID 23032458

IUPACethoxymethylthiourea
SMILESCCOCNC(N)=S
InChIInChI=1S/C4H10N2OS/c1-2-7-3-6-4(5)8/h2-3H2,1H3,(H3,5,6,8)
InChIKeyXNRQZASCNIFNJR-UHFFFAOYSA-N
MW134.20 g/mol
LogP-0.19
Rot. Bonds3

About ethoxymethylthiourea

ethoxymethylthiourea (PubChem CID 23032458) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is ethoxymethylthiourea.

Molecular Properties

Compound Nameethoxymethylthiourea
PubChem CID23032458
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC Nameethoxymethylthiourea
SMILESCCOCNC(N)=S
InChIInChI=1S/C4H10N2OS/c1-2-7-3-6-4(5)8/h2-3H2,1H3,(H3,5,6,8)
InChIKeyXNRQZASCNIFNJR-UHFFFAOYSA-N
XLogP-0.19
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 ethoxymethylthiourea?
The IUPAC name of ethoxymethylthiourea (CID 23032458) is ethoxymethylthiourea.
What is the SMILES notation for ethoxymethylthiourea?
The canonical SMILES for ethoxymethylthiourea is CCOCNC(N)=S.
What is the InChIKey of ethoxymethylthiourea?
The InChIKey is XNRQZASCNIFNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c1-2-7-3-6-4(5)8/h2-3H2,1H3,(H3,5,6,8).
What are the key properties of ethoxymethylthiourea?
ethoxymethylthiourea has a molecular weight of 134.20 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethylthiourea is sourced from PubChem (CID 23032458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).