4-methyl-1,3-dihydroimidazole-2-thione;2-methyl-3,4-dihydro-2H-naphthalen-1-one

C15H18N2OS — CID 143559282

IUPAC4-methyl-1,3-dihydroimidazole-2-thione;2-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1CCc2ccccc2C1=O.Cc1c[nH]c(=S)[nH]1
InChIInChI=1S/C11H12O.C4H6N2S/c1-8-6-7-9-4-2-3-5-10(9)11(8)12;1-3-2-5-4(7)6-3/h2-5,8H,6-7H2,1H3;2H,1H3,(H2,5,6,7)
InChIKeyFIHNWPPKMXVZTH-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.83
Rot. Bonds

About 4-methyl-1,3-dihydroimidazole-2-thione;2-methyl-3,4-dihydro-2H-naphthalen-1-one

4-methyl-1,3-dihydroimidazole-2-thione;2-methyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 143559282) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-methyl-1,3-dihydroimidazole-2-thione;2-methyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name4-methyl-1,3-dihydroimidazole-2-thione;2-methyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID143559282
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-methyl-1,3-dihydroimidazole-2-thione;2-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1CCc2ccccc2C1=O.Cc1c[nH]c(=S)[nH]1
InChIInChI=1S/C11H12O.C4H6N2S/c1-8-6-7-9-4-2-3-5-10(9)11(8)12;1-3-2-5-4(7)6-3/h2-5,8H,6-7H2,1H3;2H,1H3,(H2,5,6,7)
InChIKeyFIHNWPPKMXVZTH-UHFFFAOYSA-N
XLogP3.83
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dihydroimidazole-2-thione;2-methyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 4-methyl-1,3-dihydroimidazole-2-thione;2-methyl-3,4-dihydro-2H-naphthalen-1-one (CID 143559282) is 4-methyl-1,3-dihydroimidazole-2-thione;2-methyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 4-methyl-1,3-dihydroimidazole-2-thione;2-methyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 4-methyl-1,3-dihydroimidazole-2-thione;2-methyl-3,4-dihydro-2H-naphthalen-1-one is CC1CCc2ccccc2C1=O.Cc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-methyl-1,3-dihydroimidazole-2-thione;2-methyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is FIHNWPPKMXVZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O.C4H6N2S/c1-8-6-7-9-4-2-3-5-10(9)11(8)12;1-3-2-5-4(7)6-3/h2-5,8H,6-7H2,1H3;2H,1H3,(H2,5,6,7).
What are the key properties of 4-methyl-1,3-dihydroimidazole-2-thione;2-methyl-3,4-dihydro-2H-naphthalen-1-one?
4-methyl-1,3-dihydroimidazole-2-thione;2-methyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 274.39 g/mol, XLogP of 3.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dihydroimidazole-2-thione;2-methyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 143559282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).