1-(2-hydroxyethyl)-3-methylimidazole-2-thione

C6H10N2OS — CID 18341673

IUPAC1-(2-hydroxyethyl)-3-methylimidazole-2-thione
SMILESCn1ccn(CCO)c1=S
InChIInChI=1S/C6H10N2OS/c1-7-2-3-8(4-5-9)6(7)10/h2-3,9H,4-5H2,1H3
InChIKeyWPEOBRXNGISRHO-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.55
Rot. Bonds2

About 1-(2-hydroxyethyl)-3-methylimidazole-2-thione

1-(2-hydroxyethyl)-3-methylimidazole-2-thione (PubChem CID 18341673) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-methylimidazole-2-thione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-methylimidazole-2-thione
PubChem CID18341673
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name1-(2-hydroxyethyl)-3-methylimidazole-2-thione
SMILESCn1ccn(CCO)c1=S
InChIInChI=1S/C6H10N2OS/c1-7-2-3-8(4-5-9)6(7)10/h2-3,9H,4-5H2,1H3
InChIKeyWPEOBRXNGISRHO-UHFFFAOYSA-N
XLogP0.55
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-hydroxyethyl)-3-methylimidazole-2-thione?
The IUPAC name of 1-(2-hydroxyethyl)-3-methylimidazole-2-thione (CID 18341673) is 1-(2-hydroxyethyl)-3-methylimidazole-2-thione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-methylimidazole-2-thione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-methylimidazole-2-thione is Cn1ccn(CCO)c1=S.
What is the InChIKey of 1-(2-hydroxyethyl)-3-methylimidazole-2-thione?
The InChIKey is WPEOBRXNGISRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-7-2-3-8(4-5-9)6(7)10/h2-3,9H,4-5H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-methylimidazole-2-thione?
1-(2-hydroxyethyl)-3-methylimidazole-2-thione has a molecular weight of 158.23 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-methylimidazole-2-thione is sourced from PubChem (CID 18341673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).