1,3-dihydroimidazole-2-thione

C3H4N2S — CID 1201386

IUPAC1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc[nH]1
InChIInChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
InChIKeyOXFSTTJBVAAALW-UHFFFAOYSA-N
MW100.15 g/mol
LogP1.07
Rot. Bonds

About 1,3-dihydroimidazole-2-thione

1,3-dihydroimidazole-2-thione (PubChem CID 1201386) has the molecular formula C3H4N2S and a molecular weight of 100.15 g/mol. Its IUPAC name is 1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name1,3-dihydroimidazole-2-thione
PubChem CID1201386
Molecular FormulaC3H4N2S
Molecular Weight100.15 g/mol
Exact Mass100.01
IUPAC Name1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc[nH]1
InChIInChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
InChIKeyOXFSTTJBVAAALW-UHFFFAOYSA-N
XLogP1.07
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.15
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1,3-dihydroimidazole-2-thione?
The IUPAC name of 1,3-dihydroimidazole-2-thione (CID 1201386) is 1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 1,3-dihydroimidazole-2-thione?
The canonical SMILES for 1,3-dihydroimidazole-2-thione is S=c1[nH]cc[nH]1.
What is the InChIKey of 1,3-dihydroimidazole-2-thione?
The InChIKey is OXFSTTJBVAAALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6).
What are the key properties of 1,3-dihydroimidazole-2-thione?
1,3-dihydroimidazole-2-thione has a molecular weight of 100.15 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 1201386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).