1,3-bis(1-hydroxyethyl)imidazolidine-2-thione

C7H14N2O2S — CID 21489800

IUPAC1,3-bis(1-hydroxyethyl)imidazolidine-2-thione
SMILESCC(O)N1CCN(C(C)O)C1=S
InChIInChI=1S/C7H14N2O2S/c1-5(10)8-3-4-9(6(2)11)7(8)12/h5-6,10-11H,3-4H2,1-2H3
InChIKeyUTFUOXQWZPNRBU-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.43
Rot. Bonds2

About 1,3-bis(1-hydroxyethyl)imidazolidine-2-thione

1,3-bis(1-hydroxyethyl)imidazolidine-2-thione (PubChem CID 21489800) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 1,3-bis(1-hydroxyethyl)imidazolidine-2-thione.

Molecular Properties

Compound Name1,3-bis(1-hydroxyethyl)imidazolidine-2-thione
PubChem CID21489800
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name1,3-bis(1-hydroxyethyl)imidazolidine-2-thione
SMILESCC(O)N1CCN(C(C)O)C1=S
InChIInChI=1S/C7H14N2O2S/c1-5(10)8-3-4-9(6(2)11)7(8)12/h5-6,10-11H,3-4H2,1-2H3
InChIKeyUTFUOXQWZPNRBU-UHFFFAOYSA-N
XLogP-0.43
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-bis(1-hydroxyethyl)imidazolidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-hydroxyethyl)imidazolidine-2-thione?
The IUPAC name of 1,3-bis(1-hydroxyethyl)imidazolidine-2-thione (CID 21489800) is 1,3-bis(1-hydroxyethyl)imidazolidine-2-thione.
What is the SMILES notation for 1,3-bis(1-hydroxyethyl)imidazolidine-2-thione?
The canonical SMILES for 1,3-bis(1-hydroxyethyl)imidazolidine-2-thione is CC(O)N1CCN(C(C)O)C1=S.
What is the InChIKey of 1,3-bis(1-hydroxyethyl)imidazolidine-2-thione?
The InChIKey is UTFUOXQWZPNRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-5(10)8-3-4-9(6(2)11)7(8)12/h5-6,10-11H,3-4H2,1-2H3.
What are the key properties of 1,3-bis(1-hydroxyethyl)imidazolidine-2-thione?
1,3-bis(1-hydroxyethyl)imidazolidine-2-thione has a molecular weight of 190.27 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-hydroxyethyl)imidazolidine-2-thione is sourced from PubChem (CID 21489800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).