4,5-dihydroxy-1-methylimidazolidine-2-thione

C4H8N2O2S — CID 2763436

IUPAC4,5-dihydroxy-1-methylimidazolidine-2-thione
SMILESCN1C(=S)NC(O)C1O
InChIInChI=1S/C4H8N2O2S/c1-6-3(8)2(7)5-4(6)9/h2-3,7-8H,1H3,(H,5,9)
InChIKeyPMLULKKCEWWGHV-UHFFFAOYSA-N
MW148.19 g/mol
LogP-1.56
Rot. Bonds

About 4,5-dihydroxy-1-methylimidazolidine-2-thione

4,5-dihydroxy-1-methylimidazolidine-2-thione (PubChem CID 2763436) has the molecular formula C4H8N2O2S and a molecular weight of 148.19 g/mol. Its IUPAC name is 4,5-dihydroxy-1-methylimidazolidine-2-thione.

Molecular Properties

Compound Name4,5-dihydroxy-1-methylimidazolidine-2-thione
PubChem CID2763436
Molecular FormulaC4H8N2O2S
Molecular Weight148.19 g/mol
Exact Mass148.03
IUPAC Name4,5-dihydroxy-1-methylimidazolidine-2-thione
SMILESCN1C(=S)NC(O)C1O
InChIInChI=1S/C4H8N2O2S/c1-6-3(8)2(7)5-4(6)9/h2-3,7-8H,1H3,(H,5,9)
InChIKeyPMLULKKCEWWGHV-UHFFFAOYSA-N
XLogP-1.56
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 4,5-dihydroxy-1-methylimidazolidine-2-thione?
The IUPAC name of 4,5-dihydroxy-1-methylimidazolidine-2-thione (CID 2763436) is 4,5-dihydroxy-1-methylimidazolidine-2-thione.
What is the SMILES notation for 4,5-dihydroxy-1-methylimidazolidine-2-thione?
The canonical SMILES for 4,5-dihydroxy-1-methylimidazolidine-2-thione is CN1C(=S)NC(O)C1O.
What is the InChIKey of 4,5-dihydroxy-1-methylimidazolidine-2-thione?
The InChIKey is PMLULKKCEWWGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2S/c1-6-3(8)2(7)5-4(6)9/h2-3,7-8H,1H3,(H,5,9).
What are the key properties of 4,5-dihydroxy-1-methylimidazolidine-2-thione?
4,5-dihydroxy-1-methylimidazolidine-2-thione has a molecular weight of 148.19 g/mol, XLogP of -1.56, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-1-methylimidazolidine-2-thione is sourced from PubChem (CID 2763436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).