ethane;2-methylsulfanyl-1,4-dihydroimidazol-5-one

C6H12N2OS — CID 143598175

IUPACethane;2-methylsulfanyl-1,4-dihydroimidazol-5-one
SMILESCC.CSC1=NCC(=O)N1
InChIInChI=1S/C4H6N2OS.C2H6/c1-8-4-5-2-3(7)6-4;1-2/h2H2,1H3,(H,5,6,7);1-2H3
InChIKeyAUKZSFGYGDCPQI-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.86
Rot. Bonds

About ethane;2-methylsulfanyl-1,4-dihydroimidazol-5-one

ethane;2-methylsulfanyl-1,4-dihydroimidazol-5-one (PubChem CID 143598175) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is ethane;2-methylsulfanyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Nameethane;2-methylsulfanyl-1,4-dihydroimidazol-5-one
PubChem CID143598175
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Nameethane;2-methylsulfanyl-1,4-dihydroimidazol-5-one
SMILESCC.CSC1=NCC(=O)N1
InChIInChI=1S/C4H6N2OS.C2H6/c1-8-4-5-2-3(7)6-4;1-2/h2H2,1H3,(H,5,6,7);1-2H3
InChIKeyAUKZSFGYGDCPQI-UHFFFAOYSA-N
XLogP0.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylsulfanyl-1,4-dihydroimidazol-5-one?
The IUPAC name of ethane;2-methylsulfanyl-1,4-dihydroimidazol-5-one (CID 143598175) is ethane;2-methylsulfanyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for ethane;2-methylsulfanyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for ethane;2-methylsulfanyl-1,4-dihydroimidazol-5-one is CC.CSC1=NCC(=O)N1.
What is the InChIKey of ethane;2-methylsulfanyl-1,4-dihydroimidazol-5-one?
The InChIKey is AUKZSFGYGDCPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS.C2H6/c1-8-4-5-2-3(7)6-4;1-2/h2H2,1H3,(H,5,6,7);1-2H3.
What are the key properties of ethane;2-methylsulfanyl-1,4-dihydroimidazol-5-one?
ethane;2-methylsulfanyl-1,4-dihydroimidazol-5-one has a molecular weight of 160.24 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylsulfanyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 143598175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).