1-(ethoxymethyl)-1-methylthiourea

C5H12N2OS — CID 139655310

IUPAC1-(ethoxymethyl)-1-methylthiourea
SMILESCCOCN(C)C(N)=S
InChIInChI=1S/C5H12N2OS/c1-3-8-4-7(2)5(6)9/h3-4H2,1-2H3,(H2,6,9)
InChIKeyKNDPKOOSUMDXNM-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.16
Rot. Bonds3

About 1-(ethoxymethyl)-1-methylthiourea

1-(ethoxymethyl)-1-methylthiourea (PubChem CID 139655310) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 1-(ethoxymethyl)-1-methylthiourea.

Molecular Properties

Compound Name1-(ethoxymethyl)-1-methylthiourea
PubChem CID139655310
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name1-(ethoxymethyl)-1-methylthiourea
SMILESCCOCN(C)C(N)=S
InChIInChI=1S/C5H12N2OS/c1-3-8-4-7(2)5(6)9/h3-4H2,1-2H3,(H2,6,9)
InChIKeyKNDPKOOSUMDXNM-UHFFFAOYSA-N
XLogP0.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
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-(ethoxymethyl)-1-methylthiourea?
The IUPAC name of 1-(ethoxymethyl)-1-methylthiourea (CID 139655310) is 1-(ethoxymethyl)-1-methylthiourea.
What is the SMILES notation for 1-(ethoxymethyl)-1-methylthiourea?
The canonical SMILES for 1-(ethoxymethyl)-1-methylthiourea is CCOCN(C)C(N)=S.
What is the InChIKey of 1-(ethoxymethyl)-1-methylthiourea?
The InChIKey is KNDPKOOSUMDXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-3-8-4-7(2)5(6)9/h3-4H2,1-2H3,(H2,6,9).
What are the key properties of 1-(ethoxymethyl)-1-methylthiourea?
1-(ethoxymethyl)-1-methylthiourea has a molecular weight of 148.23 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-1-methylthiourea is sourced from PubChem (CID 139655310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).