2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole

C6H12N2S — CID 46707387

IUPAC2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole
SMILESCC(C)SC1=NCCN1
InChIInChI=1S/C6H12N2S/c1-5(2)9-6-7-3-4-8-6/h5H,3-4H2,1-2H3,(H,7,8)
InChIKeyDBZIHGWNAMTFOU-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.09
Rot. Bonds1

About 2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole

2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole (PubChem CID 46707387) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole
PubChem CID46707387
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole
SMILESCC(C)SC1=NCCN1
InChIInChI=1S/C6H12N2S/c1-5(2)9-6-7-3-4-8-6/h5H,3-4H2,1-2H3,(H,7,8)
InChIKeyDBZIHGWNAMTFOU-UHFFFAOYSA-N
XLogP1.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole (CID 46707387) is 2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole is CC(C)SC1=NCCN1.
What is the InChIKey of 2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole?
The InChIKey is DBZIHGWNAMTFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-5(2)9-6-7-3-4-8-6/h5H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole?
2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole has a molecular weight of 144.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 46707387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).