1-(2-methoxyethyl)-3-methylthiourea

C5H12N2OS — CID 12761700

IUPAC1-(2-methoxyethyl)-3-methylthiourea
SMILESCNC(=S)NCCOC
InChIInChI=1S/C5H12N2OS/c1-6-5(9)7-3-4-8-2/h3-4H2,1-2H3,(H2,6,7,9)
InChIKeySXKORBPTPJTBJG-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.27
Rot. Bonds3

About 1-(2-methoxyethyl)-3-methylthiourea

1-(2-methoxyethyl)-3-methylthiourea (PubChem CID 12761700) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-methylthiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-methylthiourea
PubChem CID12761700
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name1-(2-methoxyethyl)-3-methylthiourea
SMILESCNC(=S)NCCOC
InChIInChI=1S/C5H12N2OS/c1-6-5(9)7-3-4-8-2/h3-4H2,1-2H3,(H2,6,7,9)
InChIKeySXKORBPTPJTBJG-UHFFFAOYSA-N
XLogP-0.27
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-methylthiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-methylthiourea (CID 12761700) is 1-(2-methoxyethyl)-3-methylthiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-methylthiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-methylthiourea is CNC(=S)NCCOC.
What is the InChIKey of 1-(2-methoxyethyl)-3-methylthiourea?
The InChIKey is SXKORBPTPJTBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-6-5(9)7-3-4-8-2/h3-4H2,1-2H3,(H2,6,7,9).
What are the key properties of 1-(2-methoxyethyl)-3-methylthiourea?
1-(2-methoxyethyl)-3-methylthiourea has a molecular weight of 148.23 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-methylthiourea is sourced from PubChem (CID 12761700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).