4-(hydroxymethyl)-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione

C10H16N2O2S — CID 66148856

IUPAC4-(hydroxymethyl)-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
SMILESOCc1c[nH]c(=S)n1CCC1CCCO1
InChIInChI=1S/C10H16N2O2S/c13-7-8-6-11-10(15)12(8)4-3-9-2-1-5-14-9/h6,9,13H,1-5,7H2,(H,11,15)
InChIKeyHYDYEGPOMWBPMH-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.61
Rot. Bonds4

About 4-(hydroxymethyl)-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione

4-(hydroxymethyl)-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione (PubChem CID 66148856) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
PubChem CID66148856
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-(hydroxymethyl)-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
SMILESOCc1c[nH]c(=S)n1CCC1CCCO1
InChIInChI=1S/C10H16N2O2S/c13-7-8-6-11-10(15)12(8)4-3-9-2-1-5-14-9/h6,9,13H,1-5,7H2,(H,11,15)
InChIKeyHYDYEGPOMWBPMH-UHFFFAOYSA-N
XLogP1.61
TPSA50.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)-3-(3-propan-2-yloxypropyl)-1H-imidazole-2-thione
CID 28289737
4-(hydroxymethyl)-3-(oxolan-2-ylmethyl)-1H-imidazole-2-thione
CID 65809015
4-(hydroxymethyl)-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
CID 66147398
3-(2-cyclopentyloxyethyl)-4-(hydroxymethyl)-1H-imidazole-2-thione
CID 66147615
3-(2-cyclohexyloxyethyl)-4-(hydroxymethyl)-1H-imidazole-2-thione
CID 66147818
4-(hydroxymethyl)-3-(oxan-2-ylmethyl)-1H-imidazole-2-thione
CID 66148440
4-(hydroxymethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-imidazole-2-thione
CID 80733118
4-methyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
CID 81335077
4-ethyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
CID 81335196
4-(hydroxymethyl)-3-(2-methyloxolan-3-yl)-1H-imidazole-2-thione
CID 82736699
4-(hydroxymethyl)-3-[(2-methyloxolan-3-yl)methyl]-1H-imidazole-2-thione
CID 105740117
3-[(2-ethyloxolan-3-yl)methyl]-4-(hydroxymethyl)-1H-imidazole-2-thione
CID 105740119

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione?
The IUPAC name of 4-(hydroxymethyl)-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione (CID 66148856) is 4-(hydroxymethyl)-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione.
What is the SMILES notation for 4-(hydroxymethyl)-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione?
The canonical SMILES for 4-(hydroxymethyl)-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione is OCc1c[nH]c(=S)n1CCC1CCCO1.
What is the InChIKey of 4-(hydroxymethyl)-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione?
The InChIKey is HYDYEGPOMWBPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c13-7-8-6-11-10(15)12(8)4-3-9-2-1-5-14-9/h6,9,13H,1-5,7H2,(H,11,15).
What are the key properties of 4-(hydroxymethyl)-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione?
4-(hydroxymethyl)-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione has a molecular weight of 228.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione is sourced from PubChem (CID 66148856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).