4,5-dihydroxy-1,3-dihydroimidazole-2-thione

C3H4N2O2S — CID 4035524

IUPAC4,5-dihydroxy-1,3-dihydroimidazole-2-thione
SMILESOc1[nH]c(=S)[nH]c1O
InChIInChI=1S/C3H4N2O2S/c6-1-2(7)5-3(8)4-1/h6-7H,(H2,4,5,8)
InChIKeyCWMONBJPZZSHNH-UHFFFAOYSA-N
MW132.14 g/mol
LogP0.48
Rot. Bonds

About 4,5-dihydroxy-1,3-dihydroimidazole-2-thione

4,5-dihydroxy-1,3-dihydroimidazole-2-thione (PubChem CID 4035524) has the molecular formula C3H4N2O2S and a molecular weight of 132.14 g/mol. Its IUPAC name is 4,5-dihydroxy-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4,5-dihydroxy-1,3-dihydroimidazole-2-thione
PubChem CID4035524
Molecular FormulaC3H4N2O2S
Molecular Weight132.14 g/mol
Exact Mass132.00
IUPAC Name4,5-dihydroxy-1,3-dihydroimidazole-2-thione
SMILESOc1[nH]c(=S)[nH]c1O
InChIInChI=1S/C3H4N2O2S/c6-1-2(7)5-3(8)4-1/h6-7H,(H2,4,5,8)
InChIKeyCWMONBJPZZSHNH-UHFFFAOYSA-N
XLogP0.48
TPSA72.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4,5-dihydroxy-1,3-dihydroimidazole-2-thione (CID 4035524) is 4,5-dihydroxy-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4,5-dihydroxy-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4,5-dihydroxy-1,3-dihydroimidazole-2-thione is Oc1[nH]c(=S)[nH]c1O.
What is the InChIKey of 4,5-dihydroxy-1,3-dihydroimidazole-2-thione?
The InChIKey is CWMONBJPZZSHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O2S/c6-1-2(7)5-3(8)4-1/h6-7H,(H2,4,5,8).
What are the key properties of 4,5-dihydroxy-1,3-dihydroimidazole-2-thione?
4,5-dihydroxy-1,3-dihydroimidazole-2-thione has a molecular weight of 132.14 g/mol, XLogP of 0.48, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 4035524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).