3-(2-methoxyethyl)-1H-imidazole-2-thione

C6H10N2OS — CID 13031801

IUPAC3-(2-methoxyethyl)-1H-imidazole-2-thione
SMILESCOCCn1cc[nH]c1=S
InChIInChI=1S/C6H10N2OS/c1-9-5-4-8-3-2-7-6(8)10/h2-3H,4-5H2,1H3,(H,7,10)
InChIKeyFPNHEZRMEHAPTH-UHFFFAOYSA-N
MW158.23 g/mol
LogP1.19
Rot. Bonds3

About 3-(2-methoxyethyl)-1H-imidazole-2-thione

3-(2-methoxyethyl)-1H-imidazole-2-thione (PubChem CID 13031801) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1H-imidazole-2-thione
PubChem CID13031801
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name3-(2-methoxyethyl)-1H-imidazole-2-thione
SMILESCOCCn1cc[nH]c1=S
InChIInChI=1S/C6H10N2OS/c1-9-5-4-8-3-2-7-6(8)10/h2-3H,4-5H2,1H3,(H,7,10)
InChIKeyFPNHEZRMEHAPTH-UHFFFAOYSA-N
XLogP1.19
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(2-methoxyethyl)-1H-imidazole-2-thione?
The IUPAC name of 3-(2-methoxyethyl)-1H-imidazole-2-thione (CID 13031801) is 3-(2-methoxyethyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2-methoxyethyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(2-methoxyethyl)-1H-imidazole-2-thione is COCCn1cc[nH]c1=S.
What is the InChIKey of 3-(2-methoxyethyl)-1H-imidazole-2-thione?
The InChIKey is FPNHEZRMEHAPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-9-5-4-8-3-2-7-6(8)10/h2-3H,4-5H2,1H3,(H,7,10).
What are the key properties of 3-(2-methoxyethyl)-1H-imidazole-2-thione?
3-(2-methoxyethyl)-1H-imidazole-2-thione has a molecular weight of 158.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1H-imidazole-2-thione is sourced from PubChem (CID 13031801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).