2-ethoxyethylthiourea

C5H12N2OS — CID 22491132

IUPAC2-ethoxyethylthiourea
SMILESCCOCCNC(N)=S
InChIInChI=1S/C5H12N2OS/c1-2-8-4-3-7-5(6)9/h2-4H2,1H3,(H3,6,7,9)
InChIKeyJZRWGRKJJCEYJC-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.14
Rot. Bonds4

About 2-ethoxyethylthiourea

2-ethoxyethylthiourea (PubChem CID 22491132) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-ethoxyethylthiourea.

Molecular Properties

Compound Name2-ethoxyethylthiourea
PubChem CID22491132
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name2-ethoxyethylthiourea
SMILESCCOCCNC(N)=S
InChIInChI=1S/C5H12N2OS/c1-2-8-4-3-7-5(6)9/h2-4H2,1H3,(H3,6,7,9)
InChIKeyJZRWGRKJJCEYJC-UHFFFAOYSA-N
XLogP-0.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.14
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 2-ethoxyethylthiourea?
The IUPAC name of 2-ethoxyethylthiourea (CID 22491132) is 2-ethoxyethylthiourea.
What is the SMILES notation for 2-ethoxyethylthiourea?
The canonical SMILES for 2-ethoxyethylthiourea is CCOCCNC(N)=S.
What is the InChIKey of 2-ethoxyethylthiourea?
The InChIKey is JZRWGRKJJCEYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-2-8-4-3-7-5(6)9/h2-4H2,1H3,(H3,6,7,9).
What are the key properties of 2-ethoxyethylthiourea?
2-ethoxyethylthiourea has a molecular weight of 148.23 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethylthiourea is sourced from PubChem (CID 22491132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).