1,4-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole

C6H12N2S — CID 123468161

IUPAC1,4-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCSC1=NC(C)CN1C
InChIInChI=1S/C6H12N2S/c1-5-4-8(2)6(7-5)9-3/h5H,4H2,1-3H3
InChIKeyIFSPPIHAHABMKE-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.04
Rot. Bonds

About 1,4-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole

1,4-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole (PubChem CID 123468161) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 1,4-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1,4-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole
PubChem CID123468161
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name1,4-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCSC1=NC(C)CN1C
InChIInChI=1S/C6H12N2S/c1-5-4-8(2)6(7-5)9-3/h5H,4H2,1-3H3
InChIKeyIFSPPIHAHABMKE-UHFFFAOYSA-N
XLogP1.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.04
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
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
4,5-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole
CID 12223287
1-Methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride
CID 21397120
[[Butan-2-yl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium
CID 87807824
N-(4,5-dihydro-1,3-thiazol-4-ylmethyl)-N,N'-dimethylmethanimidamide
CID 123264875
methyl N-butan-2-yl-N'-ethyl-N-methylcarbamimidothioate
CID 123579688
methyl N-butan-2-yl-N-ethyl-N'-methylcarbamimidothioate
CID 123657797
Ethane;1-methyl-2-methylsulfanyl-4,5-dihydroimidazole
CID 143333545

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole?
The IUPAC name of 1,4-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole (CID 123468161) is 1,4-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole.
What is the SMILES notation for 1,4-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole?
The canonical SMILES for 1,4-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole is CSC1=NC(C)CN1C.
What is the InChIKey of 1,4-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole?
The InChIKey is IFSPPIHAHABMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-5-4-8(2)6(7-5)9-3/h5H,4H2,1-3H3.
What are the key properties of 1,4-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole?
1,4-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole has a molecular weight of 144.24 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole is sourced from PubChem (CID 123468161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).