5-(2-methoxyethyl)thiolan-3-one

C7H12O2S — CID 57260628

IUPAC5-(2-methoxyethyl)thiolan-3-one
SMILESCOCCC1CC(=O)CS1
InChIInChI=1S/C7H12O2S/c1-9-3-2-7-4-6(8)5-10-7/h7H,2-5H2,1H3
InChIKeyWLHUNKBMKYUZPC-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.10
Rot. Bonds3

About 5-(2-methoxyethyl)thiolan-3-one

5-(2-methoxyethyl)thiolan-3-one (PubChem CID 57260628) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 5-(2-methoxyethyl)thiolan-3-one.

Molecular Properties

Compound Name5-(2-methoxyethyl)thiolan-3-one
PubChem CID57260628
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name5-(2-methoxyethyl)thiolan-3-one
SMILESCOCCC1CC(=O)CS1
InChIInChI=1S/C7H12O2S/c1-9-3-2-7-4-6(8)5-10-7/h7H,2-5H2,1H3
InChIKeyWLHUNKBMKYUZPC-UHFFFAOYSA-N
XLogP1.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)thiolan-3-one?
The IUPAC name of 5-(2-methoxyethyl)thiolan-3-one (CID 57260628) is 5-(2-methoxyethyl)thiolan-3-one.
What is the SMILES notation for 5-(2-methoxyethyl)thiolan-3-one?
The canonical SMILES for 5-(2-methoxyethyl)thiolan-3-one is COCCC1CC(=O)CS1.
What is the InChIKey of 5-(2-methoxyethyl)thiolan-3-one?
The InChIKey is WLHUNKBMKYUZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-9-3-2-7-4-6(8)5-10-7/h7H,2-5H2,1H3.
What are the key properties of 5-(2-methoxyethyl)thiolan-3-one?
5-(2-methoxyethyl)thiolan-3-one has a molecular weight of 160.24 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)thiolan-3-one is sourced from PubChem (CID 57260628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).