1-(1-hydroxyethyl)imidazolidine-2-thione

C5H10N2OS — CID 89249012

IUPAC1-(1-hydroxyethyl)imidazolidine-2-thione
SMILESCC(O)N1CCNC1=S
InChIInChI=1S/C5H10N2OS/c1-4(8)7-3-2-6-5(7)9/h4,8H,2-3H2,1H3,(H,6,9)
InChIKeyDPDOXEPWMZIWAD-UHFFFAOYSA-N
MW146.22 g/mol
LogP-0.49
Rot. Bonds1

About 1-(1-hydroxyethyl)imidazolidine-2-thione

1-(1-hydroxyethyl)imidazolidine-2-thione (PubChem CID 89249012) has the molecular formula C5H10N2OS and a molecular weight of 146.22 g/mol. Its IUPAC name is 1-(1-hydroxyethyl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-(1-hydroxyethyl)imidazolidine-2-thione
PubChem CID89249012
Molecular FormulaC5H10N2OS
Molecular Weight146.22 g/mol
Exact Mass146.05
IUPAC Name1-(1-hydroxyethyl)imidazolidine-2-thione
SMILESCC(O)N1CCNC1=S
InChIInChI=1S/C5H10N2OS/c1-4(8)7-3-2-6-5(7)9/h4,8H,2-3H2,1H3,(H,6,9)
InChIKeyDPDOXEPWMZIWAD-UHFFFAOYSA-N
XLogP-0.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1-hydroxyethyl)imidazolidine-2-thione?
The IUPAC name of 1-(1-hydroxyethyl)imidazolidine-2-thione (CID 89249012) is 1-(1-hydroxyethyl)imidazolidine-2-thione.
What is the SMILES notation for 1-(1-hydroxyethyl)imidazolidine-2-thione?
The canonical SMILES for 1-(1-hydroxyethyl)imidazolidine-2-thione is CC(O)N1CCNC1=S.
What is the InChIKey of 1-(1-hydroxyethyl)imidazolidine-2-thione?
The InChIKey is DPDOXEPWMZIWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS/c1-4(8)7-3-2-6-5(7)9/h4,8H,2-3H2,1H3,(H,6,9).
What are the key properties of 1-(1-hydroxyethyl)imidazolidine-2-thione?
1-(1-hydroxyethyl)imidazolidine-2-thione has a molecular weight of 146.22 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethyl)imidazolidine-2-thione is sourced from PubChem (CID 89249012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).