1-(1H-imidazol-2-yl)-2-(oxan-2-yloxy)ethanethiol

C10H16N2O2S — CID 57238441

IUPAC1-(1H-imidazol-2-yl)-2-(oxan-2-yloxy)ethanethiol
SMILESSC(COC1CCCCO1)c1ncc[nH]1
InChIInChI=1S/C10H16N2O2S/c15-8(10-11-4-5-12-10)7-14-9-3-1-2-6-13-9/h4-5,8-9,15H,1-3,6-7H2,(H,11,12)
InChIKeyVFMIBKMABOXKTE-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.92
Rot. Bonds4

About 1-(1H-imidazol-2-yl)-2-(oxan-2-yloxy)ethanethiol

1-(1H-imidazol-2-yl)-2-(oxan-2-yloxy)ethanethiol (PubChem CID 57238441) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-2-(oxan-2-yloxy)ethanethiol.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-2-(oxan-2-yloxy)ethanethiol
PubChem CID57238441
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-(1H-imidazol-2-yl)-2-(oxan-2-yloxy)ethanethiol
SMILESSC(COC1CCCCO1)c1ncc[nH]1
InChIInChI=1S/C10H16N2O2S/c15-8(10-11-4-5-12-10)7-14-9-3-1-2-6-13-9/h4-5,8-9,15H,1-3,6-7H2,(H,11,12)
InChIKeyVFMIBKMABOXKTE-UHFFFAOYSA-N
XLogP1.92
TPSA47.14 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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(1H-imidazol-2-yl)-2-(oxan-2-yloxy)ethanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole
CID 166757522
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
4-[2-(oxan-2-yloxy)ethoxymethyl]-1H-pyrimidin-6-one
CID 178051551
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
[2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane
CID 140697805
2-(2-propylpentoxy)oxane
CID 175998246
magnesium;2-ethoxyoxane;dichloride
CID 158421621
2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol
CID 85158047
2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
2-(4-bromo-2,3-dimethylbutoxy)oxane
CID 14731941
2-chloro-4-(oxan-2-yloxymethyl)pyridine
CID 86090104

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-2-(oxan-2-yloxy)ethanethiol?
The IUPAC name of 1-(1H-imidazol-2-yl)-2-(oxan-2-yloxy)ethanethiol (CID 57238441) is 1-(1H-imidazol-2-yl)-2-(oxan-2-yloxy)ethanethiol.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-2-(oxan-2-yloxy)ethanethiol?
The canonical SMILES for 1-(1H-imidazol-2-yl)-2-(oxan-2-yloxy)ethanethiol is SC(COC1CCCCO1)c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-2-(oxan-2-yloxy)ethanethiol?
The InChIKey is VFMIBKMABOXKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c15-8(10-11-4-5-12-10)7-14-9-3-1-2-6-13-9/h4-5,8-9,15H,1-3,6-7H2,(H,11,12).
What are the key properties of 1-(1H-imidazol-2-yl)-2-(oxan-2-yloxy)ethanethiol?
1-(1H-imidazol-2-yl)-2-(oxan-2-yloxy)ethanethiol has a molecular weight of 228.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-2-(oxan-2-yloxy)ethanethiol is sourced from PubChem (CID 57238441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).