4-hydroxy-1-methylimidazolidine-2-thione

C4H8N2OS — CID 134334108

IUPAC4-hydroxy-1-methylimidazolidine-2-thione
SMILESCN1CC(O)NC1=S
InChIInChI=1S/C4H8N2OS/c1-6-2-3(7)5-4(6)8/h3,7H,2H2,1H3,(H,5,8)
InChIKeyGPTJDTWTZWCKAM-UHFFFAOYSA-N
MW132.19 g/mol
LogP-0.88
Rot. Bonds

About 4-hydroxy-1-methylimidazolidine-2-thione

4-hydroxy-1-methylimidazolidine-2-thione (PubChem CID 134334108) has the molecular formula C4H8N2OS and a molecular weight of 132.19 g/mol. Its IUPAC name is 4-hydroxy-1-methylimidazolidine-2-thione.

Molecular Properties

Compound Name4-hydroxy-1-methylimidazolidine-2-thione
PubChem CID134334108
Molecular FormulaC4H8N2OS
Molecular Weight132.19 g/mol
Exact Mass132.04
IUPAC Name4-hydroxy-1-methylimidazolidine-2-thione
SMILESCN1CC(O)NC1=S
InChIInChI=1S/C4H8N2OS/c1-6-2-3(7)5-4(6)8/h3,7H,2H2,1H3,(H,5,8)
InChIKeyGPTJDTWTZWCKAM-UHFFFAOYSA-N
XLogP-0.88
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.19
LogP ≤ 5-0.88
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 4-hydroxy-1-methylimidazolidine-2-thione?
The IUPAC name of 4-hydroxy-1-methylimidazolidine-2-thione (CID 134334108) is 4-hydroxy-1-methylimidazolidine-2-thione.
What is the SMILES notation for 4-hydroxy-1-methylimidazolidine-2-thione?
The canonical SMILES for 4-hydroxy-1-methylimidazolidine-2-thione is CN1CC(O)NC1=S.
What is the InChIKey of 4-hydroxy-1-methylimidazolidine-2-thione?
The InChIKey is GPTJDTWTZWCKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2OS/c1-6-2-3(7)5-4(6)8/h3,7H,2H2,1H3,(H,5,8).
What are the key properties of 4-hydroxy-1-methylimidazolidine-2-thione?
4-hydroxy-1-methylimidazolidine-2-thione has a molecular weight of 132.19 g/mol, XLogP of -0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methylimidazolidine-2-thione is sourced from PubChem (CID 134334108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).