4-hydroxyimidazolidine-2-thione

C3H6N2OS — CID 91598873

IUPAC4-hydroxyimidazolidine-2-thione
SMILESOC1CNC(=S)N1
InChIInChI=1S/C3H6N2OS/c6-2-1-4-3(7)5-2/h2,6H,1H2,(H2,4,5,7)
InChIKeySGLWDWXGZJNNGG-UHFFFAOYSA-N
MW118.16 g/mol
LogP-1.22
Rot. Bonds

About 4-hydroxyimidazolidine-2-thione

4-hydroxyimidazolidine-2-thione (PubChem CID 91598873) has the molecular formula C3H6N2OS and a molecular weight of 118.16 g/mol. Its IUPAC name is 4-hydroxyimidazolidine-2-thione.

Molecular Properties

Compound Name4-hydroxyimidazolidine-2-thione
PubChem CID91598873
Molecular FormulaC3H6N2OS
Molecular Weight118.16 g/mol
Exact Mass118.02
IUPAC Name4-hydroxyimidazolidine-2-thione
SMILESOC1CNC(=S)N1
InChIInChI=1S/C3H6N2OS/c6-2-1-4-3(7)5-2/h2,6H,1H2,(H2,4,5,7)
InChIKeySGLWDWXGZJNNGG-UHFFFAOYSA-N
XLogP-1.22
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
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-hydroxyimidazolidine-2-thione?
The IUPAC name of 4-hydroxyimidazolidine-2-thione (CID 91598873) is 4-hydroxyimidazolidine-2-thione.
What is the SMILES notation for 4-hydroxyimidazolidine-2-thione?
The canonical SMILES for 4-hydroxyimidazolidine-2-thione is OC1CNC(=S)N1.
What is the InChIKey of 4-hydroxyimidazolidine-2-thione?
The InChIKey is SGLWDWXGZJNNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2OS/c6-2-1-4-3(7)5-2/h2,6H,1H2,(H2,4,5,7).
What are the key properties of 4-hydroxyimidazolidine-2-thione?
4-hydroxyimidazolidine-2-thione has a molecular weight of 118.16 g/mol, XLogP of -1.22, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyimidazolidine-2-thione is sourced from PubChem (CID 91598873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).