5-bromo-1-methyl-2-methylsulfanylimidazole

C5H7BrN2S — CID 10375717

IUPAC5-bromo-1-methyl-2-methylsulfanylimidazole
SMILESCSc1ncc(Br)n1C
InChIInChI=1S/C5H7BrN2S/c1-8-4(6)3-7-5(8)9-2/h3H,1-2H3
InChIKeyQMOUIQRRTZBTTP-UHFFFAOYSA-N
MW207.10 g/mol
LogP1.90
Rot. Bonds1

About 5-bromo-1-methyl-2-methylsulfanylimidazole

5-bromo-1-methyl-2-methylsulfanylimidazole (PubChem CID 10375717) has the molecular formula C5H7BrN2S and a molecular weight of 207.10 g/mol. Its IUPAC name is 5-bromo-1-methyl-2-methylsulfanylimidazole.

Molecular Properties

Compound Name5-bromo-1-methyl-2-methylsulfanylimidazole
PubChem CID10375717
Molecular FormulaC5H7BrN2S
Molecular Weight207.10 g/mol
Exact Mass205.95
IUPAC Name5-bromo-1-methyl-2-methylsulfanylimidazole
SMILESCSc1ncc(Br)n1C
InChIInChI=1S/C5H7BrN2S/c1-8-4(6)3-7-5(8)9-2/h3H,1-2H3
InChIKeyQMOUIQRRTZBTTP-UHFFFAOYSA-N
XLogP1.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Bromo-1-methyl-1H-imidazole
CID 2773262
Methimazole methyl sulfide
CID 581856
1-(Methyldithiocarbonyl)imidazole
CID 11062662
5-Bromo-1-methyl-1H-imidazole
CID 1515258
4-Bromo-1-methyl-1H-imidazole
CID 1277653
2,5-Dibromo-1-methyl-1H-imidazole
CID 2773360
2,4-Dibromo-1-methyl-1H-imidazole
CID 7204880
4-Bromo-1,2-dimethyl-1H-imidazole
CID 7204875
5-bromo-1,2-dimethyl-1H-imidazole
CID 7204879
Methyl imidazole-1-carbodithioate;hydrochloride
CID 122182164
1-Methyl-2-methylsulfinyl-imidazole
CID 3009058
Imidazole, 1-methyl-2-(prop-2-ynyl)thio-, hydrobromide
CID 3050297

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-2-methylsulfanylimidazole?
The IUPAC name of 5-bromo-1-methyl-2-methylsulfanylimidazole (CID 10375717) is 5-bromo-1-methyl-2-methylsulfanylimidazole.
What is the SMILES notation for 5-bromo-1-methyl-2-methylsulfanylimidazole?
The canonical SMILES for 5-bromo-1-methyl-2-methylsulfanylimidazole is CSc1ncc(Br)n1C.
What is the InChIKey of 5-bromo-1-methyl-2-methylsulfanylimidazole?
The InChIKey is QMOUIQRRTZBTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2S/c1-8-4(6)3-7-5(8)9-2/h3H,1-2H3.
What are the key properties of 5-bromo-1-methyl-2-methylsulfanylimidazole?
5-bromo-1-methyl-2-methylsulfanylimidazole has a molecular weight of 207.10 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-2-methylsulfanylimidazole is sourced from PubChem (CID 10375717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).