2-methoxythian-3-one

C6H10O2S — CID 12622842

IUPAC2-methoxythian-3-one
SMILESCOC1SCCCC1=O
InChIInChI=1S/C6H10O2S/c1-8-6-5(7)3-2-4-9-6/h6H,2-4H2,1H3
InChIKeyZHLOWRVUZGPJLK-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.05
Rot. Bonds1

About 2-methoxythian-3-one

2-methoxythian-3-one (PubChem CID 12622842) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-methoxythian-3-one.

Molecular Properties

Compound Name2-methoxythian-3-one
PubChem CID12622842
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name2-methoxythian-3-one
SMILESCOC1SCCCC1=O
InChIInChI=1S/C6H10O2S/c1-8-6-5(7)3-2-4-9-6/h6H,2-4H2,1H3
InChIKeyZHLOWRVUZGPJLK-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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Related Compounds

1-(1,3-Oxathian-2-yl)ethanone
CID 12688715
2,2-Dimethyl-1,3-oxathian-5-one
CID 134854103
2-Propan-2-ylsulfanyloxane-3,5-dione
CID 70510533
2,6-Bis(methylsulfanyl)oxane-3,5-dione
CID 70510553
6-Methoxythian-3-one
CID 135221906
4-Methoxy-1-oxothian-3-one
CID 135368178
2-Methyl-1,3-oxathian-5-one
CID 140297047
S-(5-oxooxan-3-yl) ethanethioate
CID 156673607
3-Methylperoxythian-4-one
CID 177334032
5-(Oxan-4-ylsulfanyl)pentan-2-one
CID 62997183
1-(Oxan-4-ylsulfanyl)pentan-2-one
CID 62997336
4-(Oxan-4-ylsulfanyl)pentan-2-one
CID 64728070

Frequently Asked Questions

What is the IUPAC name of 2-methoxythian-3-one?
The IUPAC name of 2-methoxythian-3-one (CID 12622842) is 2-methoxythian-3-one.
What is the SMILES notation for 2-methoxythian-3-one?
The canonical SMILES for 2-methoxythian-3-one is COC1SCCCC1=O.
What is the InChIKey of 2-methoxythian-3-one?
The InChIKey is ZHLOWRVUZGPJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-8-6-5(7)3-2-4-9-6/h6H,2-4H2,1H3.
What are the key properties of 2-methoxythian-3-one?
2-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 2-methoxythian-3-one is sourced from PubChem (CID 12622842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).