6-methoxythian-3-one

C6H10O2S — CID 135221906

IUPAC6-methoxythian-3-one
SMILESCOC1CCC(=O)CS1
InChIInChI=1S/C6H10O2S/c1-8-6-3-2-5(7)4-9-6/h6H,2-4H2,1H3
InChIKeyCMBOQDICELJOHJ-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.05
Rot. Bonds1

About 6-methoxythian-3-one

6-methoxythian-3-one (PubChem CID 135221906) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 6-methoxythian-3-one.

Molecular Properties

Compound Name6-methoxythian-3-one
PubChem CID135221906
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name6-methoxythian-3-one
SMILESCOC1CCC(=O)CS1
InChIInChI=1S/C6H10O2S/c1-8-6-3-2-5(7)4-9-6/h6H,2-4H2,1H3
InChIKeyCMBOQDICELJOHJ-UHFFFAOYSA-N
XLogP1.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxythian-3-one?
The IUPAC name of 6-methoxythian-3-one (CID 135221906) is 6-methoxythian-3-one.
What is the SMILES notation for 6-methoxythian-3-one?
The canonical SMILES for 6-methoxythian-3-one is COC1CCC(=O)CS1.
What is the InChIKey of 6-methoxythian-3-one?
The InChIKey is CMBOQDICELJOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-8-6-3-2-5(7)4-9-6/h6H,2-4H2,1H3.
What are the key properties of 6-methoxythian-3-one?
6-methoxythian-3-one has a molecular weight of 146.21 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxythian-3-one is sourced from PubChem (CID 135221906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).