propane;1-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethanone

C8H14N2OS — CID 143328363

IUPACpropane;1-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethanone
SMILESCC(=O)c1c[nH]c(=S)[nH]1.CCC
InChIInChI=1S/C5H6N2OS.C3H8/c1-3(8)4-2-6-5(9)7-4;1-3-2/h2H,1H3,(H2,6,7,9);3H2,1-2H3
InChIKeyQHNNEFIORZEPCW-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.69
Rot. Bonds1

About propane;1-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethanone

propane;1-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethanone (PubChem CID 143328363) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is propane;1-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethanone.

Molecular Properties

Compound Namepropane;1-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethanone
PubChem CID143328363
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Namepropane;1-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethanone
SMILESCC(=O)c1c[nH]c(=S)[nH]1.CCC
InChIInChI=1S/C5H6N2OS.C3H8/c1-3(8)4-2-6-5(9)7-4;1-3-2/h2H,1H3,(H2,6,7,9);3H2,1-2H3
InChIKeyQHNNEFIORZEPCW-UHFFFAOYSA-N
XLogP2.69
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-1-one
CID 20461218
2,2-Dimethyl-1-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-1-one
CID 57953918
1-(3-methyl-2-sulfanylidene-1H-imidazol-4-yl)ethanone
CID 58958470
1-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)ethanone
CID 76839863
Ethane;1-(methylamino)propan-2-one;4-methyl-1,3-dihydroimidazole-2-thione
CID 170589290
Ethane;1-(methylamino)propan-2-one;4-methyl-1,3-dihydroimidazole-2-thione
CID 170589292
6-amino-2-sulfanylidene-3,4-dihydro-1H-imidazo[4,5-b]pyridin-7-one
CID 100910819

Frequently Asked Questions

What is the IUPAC name of propane;1-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethanone?
The IUPAC name of propane;1-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethanone (CID 143328363) is propane;1-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethanone.
What is the SMILES notation for propane;1-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethanone?
The canonical SMILES for propane;1-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethanone is CC(=O)c1c[nH]c(=S)[nH]1.CCC.
What is the InChIKey of propane;1-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethanone?
The InChIKey is QHNNEFIORZEPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS.C3H8/c1-3(8)4-2-6-5(9)7-4;1-3-2/h2H,1H3,(H2,6,7,9);3H2,1-2H3.
What are the key properties of propane;1-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethanone?
propane;1-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethanone has a molecular weight of 186.28 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;1-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethanone is sourced from PubChem (CID 143328363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).