1-methyl-2-methylsulfanyl-4H-imidazol-5-one

C5H8N2OS — CID 15552374

IUPAC1-methyl-2-methylsulfanyl-4H-imidazol-5-one
SMILESCSC1=NCC(=O)N1C
InChIInChI=1S/C5H8N2OS/c1-7-4(8)3-6-5(7)9-2/h3H2,1-2H3
InChIKeyBWWFERFEVBEWNV-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.18
Rot. Bonds

About 1-methyl-2-methylsulfanyl-4H-imidazol-5-one

1-methyl-2-methylsulfanyl-4H-imidazol-5-one (PubChem CID 15552374) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 1-methyl-2-methylsulfanyl-4H-imidazol-5-one.

Molecular Properties

Compound Name1-methyl-2-methylsulfanyl-4H-imidazol-5-one
PubChem CID15552374
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name1-methyl-2-methylsulfanyl-4H-imidazol-5-one
SMILESCSC1=NCC(=O)N1C
InChIInChI=1S/C5H8N2OS/c1-7-4(8)3-6-5(7)9-2/h3H2,1-2H3
InChIKeyBWWFERFEVBEWNV-UHFFFAOYSA-N
XLogP0.18
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
CID 4393831
1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one
CID 4644485
1-Isopropyl-2-methylsulfanyl-1H-imidazole-4,5-dione
CID 11665521
1H-Imidazole, 1-acetyl-2-(ethylthio)-4,5-dihydro-
CID 4139636
3-ethyl-2-methylsulfanyl-4H-imidazol-5-one
CID 20248949
1-Methyl-2-methylthio-imidazolin-4-one hydroiodide
CID 20248950
3-methyl-2-methylsulfanyl-4H-imidazol-5-one
CID 20248951
3-ethyl-2-methylsulfanyl-4H-imidazol-5-one;hydroiodide
CID 20248955
[[Acetyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium iodide
CID 21689511
1-ethyl-2-ethylsulfanyl-4H-imidazol-5-one
CID 22097507
2-(4,5-dihydroimidazol-1-ylmethylsulfanyl)-N,N-dimethylacetamide
CID 57166021
3-(iodomethyl)-2-methylsulfanyl-4H-imidazol-5-one;hydroiodide
CID 70483699

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylsulfanyl-4H-imidazol-5-one?
The IUPAC name of 1-methyl-2-methylsulfanyl-4H-imidazol-5-one (CID 15552374) is 1-methyl-2-methylsulfanyl-4H-imidazol-5-one.
What is the SMILES notation for 1-methyl-2-methylsulfanyl-4H-imidazol-5-one?
The canonical SMILES for 1-methyl-2-methylsulfanyl-4H-imidazol-5-one is CSC1=NCC(=O)N1C.
What is the InChIKey of 1-methyl-2-methylsulfanyl-4H-imidazol-5-one?
The InChIKey is BWWFERFEVBEWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-7-4(8)3-6-5(7)9-2/h3H2,1-2H3.
What are the key properties of 1-methyl-2-methylsulfanyl-4H-imidazol-5-one?
1-methyl-2-methylsulfanyl-4H-imidazol-5-one has a molecular weight of 144.20 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylsulfanyl-4H-imidazol-5-one is sourced from PubChem (CID 15552374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).