2-(1-methylsulfanylpropan-2-yl)-1H-imidazole

C7H12N2S — CID 66924438

IUPAC2-(1-methylsulfanylpropan-2-yl)-1H-imidazole
SMILESCSCC(C)c1ncc[nH]1
InChIInChI=1S/C7H12N2S/c1-6(5-10-2)7-8-3-4-9-7/h3-4,6H,5H2,1-2H3,(H,8,9)
InChIKeyLJIZKCPUNGRRTP-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.88
Rot. Bonds3

About 2-(1-methylsulfanylpropan-2-yl)-1H-imidazole

2-(1-methylsulfanylpropan-2-yl)-1H-imidazole (PubChem CID 66924438) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 2-(1-methylsulfanylpropan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(1-methylsulfanylpropan-2-yl)-1H-imidazole
PubChem CID66924438
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name2-(1-methylsulfanylpropan-2-yl)-1H-imidazole
SMILESCSCC(C)c1ncc[nH]1
InChIInChI=1S/C7H12N2S/c1-6(5-10-2)7-8-3-4-9-7/h3-4,6H,5H2,1-2H3,(H,8,9)
InChIKeyLJIZKCPUNGRRTP-UHFFFAOYSA-N
XLogP1.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R)-butan-2-yl]-1H-imidazole
CID 89008830
2-butan-2-yl-1H-imidazole;ethane
CID 156722843
2-hexan-2-yl-1H-imidazole
CID 54215570
hydrazine;2-propan-2-yl-1H-imidazole
CID 158955026
S-[2,3-dihydroxy-3-(1H-imidazol-2-yl)propyl] ethanethioate
CID 170821319
1-(1H-imidazol-2-yl)ethanamine;hydrochloride
CID 86811802
(1R)-1-(1H-imidazol-2-yl)-2-methylpropan-1-amine
CID 15343447
2-(1-methylsulfanylpropan-2-yl)pyrimidine
CID 66920835
3-chloro-1-(1H-imidazol-2-yl)propane-1,2-diol
CID 171861421
1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride
CID 55254704
2-(1-bromobutyl)-1H-imidazole
CID 19936731
1-(1H-imidazol-2-yl)ethanesulfinate
CID 174573081

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfanylpropan-2-yl)-1H-imidazole?
The IUPAC name of 2-(1-methylsulfanylpropan-2-yl)-1H-imidazole (CID 66924438) is 2-(1-methylsulfanylpropan-2-yl)-1H-imidazole.
What is the SMILES notation for 2-(1-methylsulfanylpropan-2-yl)-1H-imidazole?
The canonical SMILES for 2-(1-methylsulfanylpropan-2-yl)-1H-imidazole is CSCC(C)c1ncc[nH]1.
What is the InChIKey of 2-(1-methylsulfanylpropan-2-yl)-1H-imidazole?
The InChIKey is LJIZKCPUNGRRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-6(5-10-2)7-8-3-4-9-7/h3-4,6H,5H2,1-2H3,(H,8,9).
What are the key properties of 2-(1-methylsulfanylpropan-2-yl)-1H-imidazole?
2-(1-methylsulfanylpropan-2-yl)-1H-imidazole has a molecular weight of 156.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfanylpropan-2-yl)-1H-imidazole is sourced from PubChem (CID 66924438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).