ethylperoxymethylthiourea

C4H10N2O2S — CID 88877110

IUPACethylperoxymethylthiourea
SMILESCCOOCNC(N)=S
InChIInChI=1S/C4H10N2O2S/c1-2-7-8-3-6-4(5)9/h2-3H2,1H3,(H3,5,6,9)
InChIKeyDLKWRIBZUQOLAD-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.25
Rot. Bonds4

About ethylperoxymethylthiourea

ethylperoxymethylthiourea (PubChem CID 88877110) has the molecular formula C4H10N2O2S and a molecular weight of 150.20 g/mol. Its IUPAC name is ethylperoxymethylthiourea.

Molecular Properties

Compound Nameethylperoxymethylthiourea
PubChem CID88877110
Molecular FormulaC4H10N2O2S
Molecular Weight150.20 g/mol
Exact Mass150.05
IUPAC Nameethylperoxymethylthiourea
SMILESCCOOCNC(N)=S
InChIInChI=1S/C4H10N2O2S/c1-2-7-8-3-6-4(5)9/h2-3H2,1H3,(H3,5,6,9)
InChIKeyDLKWRIBZUQOLAD-UHFFFAOYSA-N
XLogP-0.25
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of ethylperoxymethylthiourea?
The IUPAC name of ethylperoxymethylthiourea (CID 88877110) is ethylperoxymethylthiourea.
What is the SMILES notation for ethylperoxymethylthiourea?
The canonical SMILES for ethylperoxymethylthiourea is CCOOCNC(N)=S.
What is the InChIKey of ethylperoxymethylthiourea?
The InChIKey is DLKWRIBZUQOLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S/c1-2-7-8-3-6-4(5)9/h2-3H2,1H3,(H3,5,6,9).
What are the key properties of ethylperoxymethylthiourea?
ethylperoxymethylthiourea has a molecular weight of 150.20 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylperoxymethylthiourea is sourced from PubChem (CID 88877110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).