4-hydroxy-1,3-dimethylimidazolidine-2-thione

C5H10N2OS — CID 138569412

IUPAC4-hydroxy-1,3-dimethylimidazolidine-2-thione
SMILESCN1CC(O)N(C)C1=S
InChIInChI=1S/C5H10N2OS/c1-6-3-4(8)7(2)5(6)9/h4,8H,3H2,1-2H3
InChIKeyXFHBNTHGEBYGGP-UHFFFAOYSA-N
MW146.22 g/mol
LogP-0.53
Rot. Bonds

About 4-hydroxy-1,3-dimethylimidazolidine-2-thione

4-hydroxy-1,3-dimethylimidazolidine-2-thione (PubChem CID 138569412) has the molecular formula C5H10N2OS and a molecular weight of 146.22 g/mol. Its IUPAC name is 4-hydroxy-1,3-dimethylimidazolidine-2-thione.

Molecular Properties

Compound Name4-hydroxy-1,3-dimethylimidazolidine-2-thione
PubChem CID138569412
Molecular FormulaC5H10N2OS
Molecular Weight146.22 g/mol
Exact Mass146.05
IUPAC Name4-hydroxy-1,3-dimethylimidazolidine-2-thione
SMILESCN1CC(O)N(C)C1=S
InChIInChI=1S/C5H10N2OS/c1-6-3-4(8)7(2)5(6)9/h4,8H,3H2,1-2H3
InChIKeyXFHBNTHGEBYGGP-UHFFFAOYSA-N
XLogP-0.53
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
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 4-hydroxy-1,3-dimethylimidazolidine-2-thione?
The IUPAC name of 4-hydroxy-1,3-dimethylimidazolidine-2-thione (CID 138569412) is 4-hydroxy-1,3-dimethylimidazolidine-2-thione.
What is the SMILES notation for 4-hydroxy-1,3-dimethylimidazolidine-2-thione?
The canonical SMILES for 4-hydroxy-1,3-dimethylimidazolidine-2-thione is CN1CC(O)N(C)C1=S.
What is the InChIKey of 4-hydroxy-1,3-dimethylimidazolidine-2-thione?
The InChIKey is XFHBNTHGEBYGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS/c1-6-3-4(8)7(2)5(6)9/h4,8H,3H2,1-2H3.
What are the key properties of 4-hydroxy-1,3-dimethylimidazolidine-2-thione?
4-hydroxy-1,3-dimethylimidazolidine-2-thione has a molecular weight of 146.22 g/mol, XLogP of -0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3-dimethylimidazolidine-2-thione is sourced from PubChem (CID 138569412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).