1-tert-butyl-2-methylsulfanyl-4,5-dihydroimidazole

C8H16N2S — CID 12504494

IUPAC1-tert-butyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCSC1=NCCN1C(C)(C)C
InChIInChI=1S/C8H16N2S/c1-8(2,3)10-6-5-9-7(10)11-4/h5-6H2,1-4H3
InChIKeyMHVHJEDYGGQDBJ-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.82
Rot. Bonds

About 1-tert-butyl-2-methylsulfanyl-4,5-dihydroimidazole

1-tert-butyl-2-methylsulfanyl-4,5-dihydroimidazole (PubChem CID 12504494) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 1-tert-butyl-2-methylsulfanyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-tert-butyl-2-methylsulfanyl-4,5-dihydroimidazole
PubChem CID12504494
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name1-tert-butyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCSC1=NCCN1C(C)(C)C
InChIInChI=1S/C8H16N2S/c1-8(2,3)10-6-5-9-7(10)11-4/h5-6H2,1-4H3
InChIKeyMHVHJEDYGGQDBJ-UHFFFAOYSA-N
XLogP1.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methylsulfanyl-4,5-dihydroimidazole?
The IUPAC name of 1-tert-butyl-2-methylsulfanyl-4,5-dihydroimidazole (CID 12504494) is 1-tert-butyl-2-methylsulfanyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-tert-butyl-2-methylsulfanyl-4,5-dihydroimidazole?
The canonical SMILES for 1-tert-butyl-2-methylsulfanyl-4,5-dihydroimidazole is CSC1=NCCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methylsulfanyl-4,5-dihydroimidazole?
The InChIKey is MHVHJEDYGGQDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-8(2,3)10-6-5-9-7(10)11-4/h5-6H2,1-4H3.
What are the key properties of 1-tert-butyl-2-methylsulfanyl-4,5-dihydroimidazole?
1-tert-butyl-2-methylsulfanyl-4,5-dihydroimidazole has a molecular weight of 172.30 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methylsulfanyl-4,5-dihydroimidazole is sourced from PubChem (CID 12504494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).