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

C6H10N2OS — CID 151916777

IUPAC4-(ethoxymethyl)-1,3-dihydroimidazole-2-thione
SMILESCCOCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C6H10N2OS/c1-2-9-4-5-3-7-6(10)8-5/h3H,2,4H2,1H3,(H2,7,8,10)
InChIKeySVXQBURXRIUSRP-UHFFFAOYSA-N
MW158.23 g/mol
LogP1.61
Rot. Bonds3

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

4-(ethoxymethyl)-1,3-dihydroimidazole-2-thione (PubChem CID 151916777) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 4-(ethoxymethyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(ethoxymethyl)-1,3-dihydroimidazole-2-thione
PubChem CID151916777
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name4-(ethoxymethyl)-1,3-dihydroimidazole-2-thione
SMILESCCOCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C6H10N2OS/c1-2-9-4-5-3-7-6(10)8-5/h3H,2,4H2,1H3,(H2,7,8,10)
InChIKeySVXQBURXRIUSRP-UHFFFAOYSA-N
XLogP1.61
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(ethoxymethyl)-1,3-dihydroimidazole-2-thione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(ethoxymethyl)-1,3-dihydroimidazole-2-thione (CID 151916777) is 4-(ethoxymethyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(ethoxymethyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(ethoxymethyl)-1,3-dihydroimidazole-2-thione is CCOCc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-(ethoxymethyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is SVXQBURXRIUSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-2-9-4-5-3-7-6(10)8-5/h3H,2,4H2,1H3,(H2,7,8,10).
What are the key properties of 4-(ethoxymethyl)-1,3-dihydroimidazole-2-thione?
4-(ethoxymethyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 158.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 151916777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).