ethane;5-methyl-2-sulfanylideneimidazolidin-4-one

C6H12N2OS — CID 142805949

IUPACethane;5-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCC.CC1NC(=S)NC1=O
InChIInChI=1S/C4H6N2OS.C2H6/c1-2-3(7)6-4(8)5-2;1-2/h2H,1H3,(H2,5,6,7,8);1-2H3
InChIKeyAHUVLJBSWRPOCD-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.41
Rot. Bonds

About ethane;5-methyl-2-sulfanylideneimidazolidin-4-one

ethane;5-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 142805949) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is ethane;5-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Nameethane;5-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID142805949
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Nameethane;5-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCC.CC1NC(=S)NC1=O
InChIInChI=1S/C4H6N2OS.C2H6/c1-2-3(7)6-4(8)5-2;1-2/h2H,1H3,(H2,5,6,7,8);1-2H3
InChIKeyAHUVLJBSWRPOCD-UHFFFAOYSA-N
XLogP0.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.41
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 ethane;5-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of ethane;5-methyl-2-sulfanylideneimidazolidin-4-one (CID 142805949) is ethane;5-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for ethane;5-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for ethane;5-methyl-2-sulfanylideneimidazolidin-4-one is CC.CC1NC(=S)NC1=O.
What is the InChIKey of ethane;5-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is AHUVLJBSWRPOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS.C2H6/c1-2-3(7)6-4(8)5-2;1-2/h2H,1H3,(H2,5,6,7,8);1-2H3.
What are the key properties of ethane;5-methyl-2-sulfanylideneimidazolidin-4-one?
ethane;5-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 160.24 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 142805949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).