3-(iodomethyl)-2-methylsulfanyl-4H-imidazol-5-one;hydroiodide

C5H8I2N2OS — CID 70483699

IUPAC3-(iodomethyl)-2-methylsulfanyl-4H-imidazol-5-one;hydroiodide
SMILESCSC1=NC(=O)CN1CI.I
InChIInChI=1S/C5H7IN2OS.HI/c1-10-5-7-4(9)2-8(5)3-6;/h2-3H2,1H3;1H
InChIKeyYFTFNOFWSFYBGF-UHFFFAOYSA-N
MW398.01 g/mol
LogP1.56
Rot. Bonds1

About 3-(iodomethyl)-2-methylsulfanyl-4H-imidazol-5-one;hydroiodide

3-(iodomethyl)-2-methylsulfanyl-4H-imidazol-5-one;hydroiodide (PubChem CID 70483699) has the molecular formula C5H8I2N2OS and a molecular weight of 398.01 g/mol. Its IUPAC name is 3-(iodomethyl)-2-methylsulfanyl-4H-imidazol-5-one;hydroiodide.

Molecular Properties

Compound Name3-(iodomethyl)-2-methylsulfanyl-4H-imidazol-5-one;hydroiodide
PubChem CID70483699
Molecular FormulaC5H8I2N2OS
Molecular Weight398.01 g/mol
Exact Mass397.84
IUPAC Name3-(iodomethyl)-2-methylsulfanyl-4H-imidazol-5-one;hydroiodide
SMILESCSC1=NC(=O)CN1CI.I
InChIInChI=1S/C5H7IN2OS.HI/c1-10-5-7-4(9)2-8(5)3-6;/h2-3H2,1H3;1H
InChIKeyYFTFNOFWSFYBGF-UHFFFAOYSA-N
XLogP1.56
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.01
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-2-(methylthio)-3,5-dihydro-4H-imidazol-4-one
CID 15552374
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
3-iodo-2-methylsulfanyl-4H-imidazol-5-one
CID 88312189
2-methylsulfanyl-3-propan-2-yl-4H-imidazol-5-one
CID 53364319
3-(iodomethyl)-2-methylsulfanyl-4H-imidazol-5-one
CID 70483700
3-acetyl-2-methylsulfanyl-4H-imidazol-5-one
CID 102395557

Frequently Asked Questions

What is the IUPAC name of 3-(iodomethyl)-2-methylsulfanyl-4H-imidazol-5-one;hydroiodide?
The IUPAC name of 3-(iodomethyl)-2-methylsulfanyl-4H-imidazol-5-one;hydroiodide (CID 70483699) is 3-(iodomethyl)-2-methylsulfanyl-4H-imidazol-5-one;hydroiodide.
What is the SMILES notation for 3-(iodomethyl)-2-methylsulfanyl-4H-imidazol-5-one;hydroiodide?
The canonical SMILES for 3-(iodomethyl)-2-methylsulfanyl-4H-imidazol-5-one;hydroiodide is CSC1=NC(=O)CN1CI.I.
What is the InChIKey of 3-(iodomethyl)-2-methylsulfanyl-4H-imidazol-5-one;hydroiodide?
The InChIKey is YFTFNOFWSFYBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN2OS.HI/c1-10-5-7-4(9)2-8(5)3-6;/h2-3H2,1H3;1H.
What are the key properties of 3-(iodomethyl)-2-methylsulfanyl-4H-imidazol-5-one;hydroiodide?
3-(iodomethyl)-2-methylsulfanyl-4H-imidazol-5-one;hydroiodide has a molecular weight of 398.01 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iodomethyl)-2-methylsulfanyl-4H-imidazol-5-one;hydroiodide is sourced from PubChem (CID 70483699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).