1-ethyl-3-methylthiourea

C4H10N2S — CID 15568242

IUPAC1-ethyl-3-methylthiourea
SMILESCCNC(=S)NC
InChIInChI=1S/C4H10N2S/c1-3-6-4(7)5-2/h3H2,1-2H3,(H2,5,6,7)
InChIKeyFFGFCSDCPGPSAJ-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.10
Rot. Bonds1

About 1-ethyl-3-methylthiourea

1-ethyl-3-methylthiourea (PubChem CID 15568242) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is 1-ethyl-3-methylthiourea.

Molecular Properties

Compound Name1-ethyl-3-methylthiourea
PubChem CID15568242
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC Name1-ethyl-3-methylthiourea
SMILESCCNC(=S)NC
InChIInChI=1S/C4H10N2S/c1-3-6-4(7)5-2/h3H2,1-2H3,(H2,5,6,7)
InChIKeyFFGFCSDCPGPSAJ-UHFFFAOYSA-N
XLogP0.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylthiourea?
The IUPAC name of 1-ethyl-3-methylthiourea (CID 15568242) is 1-ethyl-3-methylthiourea.
What is the SMILES notation for 1-ethyl-3-methylthiourea?
The canonical SMILES for 1-ethyl-3-methylthiourea is CCNC(=S)NC.
What is the InChIKey of 1-ethyl-3-methylthiourea?
The InChIKey is FFGFCSDCPGPSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S/c1-3-6-4(7)5-2/h3H2,1-2H3,(H2,5,6,7).
What are the key properties of 1-ethyl-3-methylthiourea?
1-ethyl-3-methylthiourea has a molecular weight of 118.20 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylthiourea is sourced from PubChem (CID 15568242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).