2-methylsulfanyl-1-propan-2-yl-4,5-dihydroimidazole

C7H14N2S — CID 12504493

IUPAC2-methylsulfanyl-1-propan-2-yl-4,5-dihydroimidazole
SMILESCSC1=NCCN1C(C)C
InChIInChI=1S/C7H14N2S/c1-6(2)9-5-4-8-7(9)10-3/h6H,4-5H2,1-3H3
InChIKeyFERSNRQERNHBIJ-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.43
Rot. Bonds1

About 2-methylsulfanyl-1-propan-2-yl-4,5-dihydroimidazole

2-methylsulfanyl-1-propan-2-yl-4,5-dihydroimidazole (PubChem CID 12504493) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-methylsulfanyl-1-propan-2-yl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-methylsulfanyl-1-propan-2-yl-4,5-dihydroimidazole
PubChem CID12504493
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name2-methylsulfanyl-1-propan-2-yl-4,5-dihydroimidazole
SMILESCSC1=NCCN1C(C)C
InChIInChI=1S/C7H14N2S/c1-6(2)9-5-4-8-7(9)10-3/h6H,4-5H2,1-3H3
InChIKeyFERSNRQERNHBIJ-UHFFFAOYSA-N
XLogP1.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.43
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
1,3-Dimethyl-2-methylsulfanyl-4,5-dihydroimidazol-1-ium iodide
CID 12281507
[[Di(propan-2-yl)amino]-methylsulfanylmethylidene]-dimethylazanium iodide
CID 176442201
1-Tert-butyl-2-methylsulfanyl-4,5-dihydroimidazole
CID 12504494
1-ethyl-2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide
CID 75527806
1-Methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride
CID 21397120
1,4-Dimethyl-2-methylsulfanyl-4,5-dihydroimidazole
CID 123468161
methyl N-butan-2-yl-N-ethyl-N'-methylcarbamimidothioate
CID 123657797
Ethane;1-methyl-2-methylsulfanyl-4,5-dihydroimidazole
CID 143333545
N-methyl-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 156447354

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-propan-2-yl-4,5-dihydroimidazole?
The IUPAC name of 2-methylsulfanyl-1-propan-2-yl-4,5-dihydroimidazole (CID 12504493) is 2-methylsulfanyl-1-propan-2-yl-4,5-dihydroimidazole.
What is the SMILES notation for 2-methylsulfanyl-1-propan-2-yl-4,5-dihydroimidazole?
The canonical SMILES for 2-methylsulfanyl-1-propan-2-yl-4,5-dihydroimidazole is CSC1=NCCN1C(C)C.
What is the InChIKey of 2-methylsulfanyl-1-propan-2-yl-4,5-dihydroimidazole?
The InChIKey is FERSNRQERNHBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-6(2)9-5-4-8-7(9)10-3/h6H,4-5H2,1-3H3.
What are the key properties of 2-methylsulfanyl-1-propan-2-yl-4,5-dihydroimidazole?
2-methylsulfanyl-1-propan-2-yl-4,5-dihydroimidazole has a molecular weight of 158.27 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-propan-2-yl-4,5-dihydroimidazole is sourced from PubChem (CID 12504493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).