4-(methoxymethyl)-3-methyl-1H-imidazole-2-thione

C6H10N2OS — CID 144680428

IUPAC4-(methoxymethyl)-3-methyl-1H-imidazole-2-thione
SMILESCOCc1c[nH]c(=S)n1C
InChIInChI=1S/C6H10N2OS/c1-8-5(4-9-2)3-7-6(8)10/h3H,4H2,1-2H3,(H,7,10)
InChIKeyKNXWIGZZHJLRRD-UHFFFAOYSA-N
MW158.23 g/mol
LogP1.23
Rot. Bonds2

About 4-(methoxymethyl)-3-methyl-1H-imidazole-2-thione

4-(methoxymethyl)-3-methyl-1H-imidazole-2-thione (PubChem CID 144680428) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 4-(methoxymethyl)-3-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-(methoxymethyl)-3-methyl-1H-imidazole-2-thione
PubChem CID144680428
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name4-(methoxymethyl)-3-methyl-1H-imidazole-2-thione
SMILESCOCc1c[nH]c(=S)n1C
InChIInChI=1S/C6H10N2OS/c1-8-5(4-9-2)3-7-6(8)10/h3H,4H2,1-2H3,(H,7,10)
InChIKeyKNXWIGZZHJLRRD-UHFFFAOYSA-N
XLogP1.23
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(Hydroxymethyl)-1-methyl-1,3-dihydro-2H-imidazole-2-thione
CID 2801430
3-amino-5-(ethoxymethyl)-1H-imidazole-2-thione
CID 57905948
5-(ethoxymethyl)-3-propan-2-yl-1H-imidazole-2-thione
CID 137382716
4-(Ethoxymethyl)-1,3-dihydroimidazole-2-thione
CID 151916777
4-(hydroxymethyl)-3-(2-methoxyethyl)-1H-imidazole-2-thione
CID 40505226
3-(1-methoxypropan-2-yl)-1H-imidazole-2-thione
CID 43148451
3-(2-butoxyethyl)-4-methyl-1H-imidazole-2-thione
CID 81334724
3-(1-ethoxypropan-2-yl)-4-methyl-1H-imidazole-2-thione
CID 81334841
3-(1-methoxypropan-2-yl)-5-methyl-1H-imidazole-2-thione
CID 81334895
3-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1H-imidazole-2-thione
CID 81335331
3-(2-methoxyethyl)-5-methyl-1H-imidazole-2-thione
CID 81335608
3-(2-ethoxyethyl)-4-methyl-1H-imidazole-2-thione
CID 81335762

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-3-methyl-1H-imidazole-2-thione?
The IUPAC name of 4-(methoxymethyl)-3-methyl-1H-imidazole-2-thione (CID 144680428) is 4-(methoxymethyl)-3-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 4-(methoxymethyl)-3-methyl-1H-imidazole-2-thione?
The canonical SMILES for 4-(methoxymethyl)-3-methyl-1H-imidazole-2-thione is COCc1c[nH]c(=S)n1C.
What is the InChIKey of 4-(methoxymethyl)-3-methyl-1H-imidazole-2-thione?
The InChIKey is KNXWIGZZHJLRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-8-5(4-9-2)3-7-6(8)10/h3H,4H2,1-2H3,(H,7,10).
What are the key properties of 4-(methoxymethyl)-3-methyl-1H-imidazole-2-thione?
4-(methoxymethyl)-3-methyl-1H-imidazole-2-thione has a molecular weight of 158.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-3-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 144680428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).