(5S,6R)-5,6-dimethyl-1,4-oxathian-2-one

C6H10O2S — CID 11499240

IUPAC(5S,6R)-5,6-dimethyl-1,4-oxathian-2-one
SMILESC[C@@H]1SCC(=O)O[C@@H]1C
InChIInChI=1S/C6H10O2S/c1-4-5(2)9-3-6(7)8-4/h4-5H,3H2,1-2H3/t4-,5+/m1/s1
InChIKeyVTWRVARVUVMOON-UHNVWZDZSA-N
MW146.21 g/mol
LogP1.05
Rot. Bonds

About (5S,6R)-5,6-dimethyl-1,4-oxathian-2-one

(5S,6R)-5,6-dimethyl-1,4-oxathian-2-one (PubChem CID 11499240) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is (5S,6R)-5,6-dimethyl-1,4-oxathian-2-one.

Molecular Properties

Compound Name(5S,6R)-5,6-dimethyl-1,4-oxathian-2-one
PubChem CID11499240
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name(5S,6R)-5,6-dimethyl-1,4-oxathian-2-one
SMILESC[C@@H]1SCC(=O)O[C@@H]1C
InChIInChI=1S/C6H10O2S/c1-4-5(2)9-3-6(7)8-4/h4-5H,3H2,1-2H3/t4-,5+/m1/s1
InChIKeyVTWRVARVUVMOON-UHNVWZDZSA-N
XLogP1.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
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

3-(Methylthio)propyl acetate
CID 85519
Ethyl 1,3-dithiane-2-carboxylate
CID 88552
1-(Methylsulfanyl)propan-2-yl acetate
CID 12355469
Thian-4-yl acetate
CID 294829
4-(Acetyloxy)-1-methylthian-1-ium iodide
CID 3042006
Ethyl 3-ethylsulfanylpropanoate
CID 222484
(r)-6-Methyl-[1,4]oxathian-2-one
CID 642750
3-Acetoxythiacyclohexane
CID 538721
2-Ethoxycarbonyl-1,4-dithiane
CID 14363147
Ethyl 2-propylsulfanylacetate
CID 10725680
Ethyl 3-acetylsulfanylpropanoate
CID 14405986
3-Acetoxythiolane
CID 21521664

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5,6-dimethyl-1,4-oxathian-2-one?
The IUPAC name of (5S,6R)-5,6-dimethyl-1,4-oxathian-2-one (CID 11499240) is (5S,6R)-5,6-dimethyl-1,4-oxathian-2-one.
What is the SMILES notation for (5S,6R)-5,6-dimethyl-1,4-oxathian-2-one?
The canonical SMILES for (5S,6R)-5,6-dimethyl-1,4-oxathian-2-one is C[C@@H]1SCC(=O)O[C@@H]1C.
What is the InChIKey of (5S,6R)-5,6-dimethyl-1,4-oxathian-2-one?
The InChIKey is VTWRVARVUVMOON-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H10O2S/c1-4-5(2)9-3-6(7)8-4/h4-5H,3H2,1-2H3/t4-,5+/m1/s1.
What are the key properties of (5S,6R)-5,6-dimethyl-1,4-oxathian-2-one?
(5S,6R)-5,6-dimethyl-1,4-oxathian-2-one has a molecular weight of 146.21 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5,6-dimethyl-1,4-oxathian-2-one is sourced from PubChem (CID 11499240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).