3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)oxolan-2-one

C7H10N2O2S — CID 126970945

IUPAC3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)oxolan-2-one
SMILESO=C1OCCC1SC1=NCCN1
InChIInChI=1S/C7H10N2O2S/c10-6-5(1-4-11-6)12-7-8-2-3-9-7/h5H,1-4H2,(H,8,9)
InChIKeyALJACZOKQHGMSE-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.01
Rot. Bonds1

About 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)oxolan-2-one

3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)oxolan-2-one (PubChem CID 126970945) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)oxolan-2-one.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)oxolan-2-one
PubChem CID126970945
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)oxolan-2-one
SMILESO=C1OCCC1SC1=NCCN1
InChIInChI=1S/C7H10N2O2S/c10-6-5(1-4-11-6)12-7-8-2-3-9-7/h5H,1-4H2,(H,8,9)
InChIKeyALJACZOKQHGMSE-UHFFFAOYSA-N
XLogP-0.01
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate
CID 437647
butyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate
CID 19240310
ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-3-oxobutanoate
CID 45059148
ethyl 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoate
CID 134066591

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)oxolan-2-one?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)oxolan-2-one (CID 126970945) is 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)oxolan-2-one.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)oxolan-2-one?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)oxolan-2-one is O=C1OCCC1SC1=NCCN1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)oxolan-2-one?
The InChIKey is ALJACZOKQHGMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c10-6-5(1-4-11-6)12-7-8-2-3-9-7/h5H,1-4H2,(H,8,9).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)oxolan-2-one?
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)oxolan-2-one has a molecular weight of 186.24 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)oxolan-2-one is sourced from PubChem (CID 126970945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).