1-methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride

C5H11ClN2S — CID 21397120

IUPAC1-methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride
SMILESCSC1=NCCN1C.Cl
InChIInChI=1S/C5H10N2S.ClH/c1-7-4-3-6-5(7)8-2;/h3-4H2,1-2H3;1H
InChIKeyFLMMXQKNVBKWFN-UHFFFAOYSA-N
MW166.68 g/mol
LogP1.07
Rot. Bonds

About 1-methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride

1-methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride (PubChem CID 21397120) has the molecular formula C5H11ClN2S and a molecular weight of 166.68 g/mol. Its IUPAC name is 1-methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride.

Molecular Properties

Compound Name1-methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride
PubChem CID21397120
Molecular FormulaC5H11ClN2S
Molecular Weight166.68 g/mol
Exact Mass166.03
IUPAC Name1-methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride
SMILESCSC1=NCCN1C.Cl
InChIInChI=1S/C5H10N2S.ClH/c1-7-4-3-6-5(7)8-2;/h3-4H2,1-2H3;1H
InChIKeyFLMMXQKNVBKWFN-UHFFFAOYSA-N
XLogP1.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.68
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole
CID 10396874
1-methyl-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole hydroiodide
CID 12281505
5-Fluoro-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole
CID 134202148
1-Ethyl-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole
CID 12504492
2-Methylsulfanyl-1-propan-2-yl-4,5-dihydroimidazole
CID 12504493
1,3-Dimethyl-2-methylsulfanyl-4,5-dihydroimidazol-1-ium iodide
CID 12281507
1-ethyl-2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide
CID 75527806
methyl N,N'-diethyl-N-methylcarbamimidothioate
CID 57031942
[[Ethyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium
CID 87343668
1-Iodo-2-methylsulfanyl-4,5-dihydroimidazole
CID 88315582
1,4-Dimethyl-2-methylsulfanyl-4,5-dihydroimidazole
CID 123468161
methyl N,N-diethyl-N'-methylcarbamimidothioate;hydrochloride
CID 139719403

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride?
The IUPAC name of 1-methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride (CID 21397120) is 1-methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride.
What is the SMILES notation for 1-methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride?
The canonical SMILES for 1-methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride is CSC1=NCCN1C.Cl.
What is the InChIKey of 1-methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride?
The InChIKey is FLMMXQKNVBKWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S.ClH/c1-7-4-3-6-5(7)8-2;/h3-4H2,1-2H3;1H.
What are the key properties of 1-methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride?
1-methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride has a molecular weight of 166.68 g/mol, XLogP of 1.07, 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-4,5-dihydroimidazole;hydrochloride is sourced from PubChem (CID 21397120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).