4-(hydroxymethyl)-1,3-dihydroimidazole-2-thione

C4H6N2OS — CID 23283879

IUPAC4-(hydroxymethyl)-1,3-dihydroimidazole-2-thione
SMILESOCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C4H6N2OS/c7-2-3-1-5-4(8)6-3/h1,7H,2H2,(H2,5,6,8)
InChIKeyAJDIPXJCUNPHHS-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.56
Rot. Bonds1

About 4-(hydroxymethyl)-1,3-dihydroimidazole-2-thione

4-(hydroxymethyl)-1,3-dihydroimidazole-2-thione (PubChem CID 23283879) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(hydroxymethyl)-1,3-dihydroimidazole-2-thione
PubChem CID23283879
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name4-(hydroxymethyl)-1,3-dihydroimidazole-2-thione
SMILESOCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C4H6N2OS/c7-2-3-1-5-4(8)6-3/h1,7H,2H2,(H2,5,6,8)
InChIKeyAJDIPXJCUNPHHS-UHFFFAOYSA-N
XLogP0.56
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 22988644
CID 22988644
CID 2801430
CID 2801430
CID 151728307
CID 151728307
CID 33746523
CID 33746523
CID 115409368
CID 115409368
CID 12630193
CID 12630193
CID 22938592
CID 22938592
CID 22938703
CID 22938703
CID 22938882
CID 22938882
CID 22988643
CID 22988643
CID 22988648
CID 22988648
CID 46839980
CID 46839980

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(hydroxymethyl)-1,3-dihydroimidazole-2-thione (CID 23283879) is 4-(hydroxymethyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(hydroxymethyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(hydroxymethyl)-1,3-dihydroimidazole-2-thione is OCc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-(hydroxymethyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is AJDIPXJCUNPHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS/c7-2-3-1-5-4(8)6-3/h1,7H,2H2,(H2,5,6,8).
What are the key properties of 4-(hydroxymethyl)-1,3-dihydroimidazole-2-thione?
4-(hydroxymethyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 130.17 g/mol, XLogP of 0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 23283879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).