(2S,4S)-2-ethoxy-4-methyl-1,3-oxathiolan-5-one

C6H10O3S — CID 124629986

IUPAC(2S,4S)-2-ethoxy-4-methyl-1,3-oxathiolan-5-one
SMILESCCO[C@H]1OC(=O)[C@H](C)S1
InChIInChI=1S/C6H10O3S/c1-3-8-6-9-5(7)4(2)10-6/h4,6H,3H2,1-2H3/t4-,6-/m0/s1
InChIKeyQJUIPGBPPKNOID-NJGYIYPDSA-N
MW162.21 g/mol
LogP0.99
Rot. Bonds2

About (2S,4S)-2-ethoxy-4-methyl-1,3-oxathiolan-5-one

(2S,4S)-2-ethoxy-4-methyl-1,3-oxathiolan-5-one (PubChem CID 124629986) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is (2S,4S)-2-ethoxy-4-methyl-1,3-oxathiolan-5-one.

Molecular Properties

Compound Name(2S,4S)-2-ethoxy-4-methyl-1,3-oxathiolan-5-one
PubChem CID124629986
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name(2S,4S)-2-ethoxy-4-methyl-1,3-oxathiolan-5-one
SMILESCCO[C@H]1OC(=O)[C@H](C)S1
InChIInChI=1S/C6H10O3S/c1-3-8-6-9-5(7)4(2)10-6/h4,6H,3H2,1-2H3/t4-,6-/m0/s1
InChIKeyQJUIPGBPPKNOID-NJGYIYPDSA-N
XLogP0.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-nonyl-1,3-oxathiolan-5-one
CID 139877746
4-methyl-2-[(1E,3E)-nona-1,3-dienyl]-1,3-oxathiolan-5-one
CID 139877750
2-ethoxy-1,3-dioxane-4,6-dione
CID 53405380
(5S)-4-ethoxy-5-methyl-3-methylideneoxolan-2-one
CID 143981955
4-methyl-2-phenyl-1,3-oxathiolan-5-one
CID 12581976
(5R)-5-ethoxypyrrolidin-2-one
CID 7098910
2-(2-methoxyphenyl)-4-methyl-1,3-oxathiolan-5-one
CID 139899567
2-ethoxy-5,5-diethyl-1,3-dioxane-4,6-dione
CID 54553767
2-(2-hydroxyphenyl)-4-methyl-1,3-oxathiolan-5-one
CID 139899543
(3R,5R)-3-acetyl-5-ethoxyoxolan-2-one
CID 10374872
3-ethyloxiran-2-one
CID 21297762
(2S,4R)-2-ethoxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one
CID 129386911

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-ethoxy-4-methyl-1,3-oxathiolan-5-one?
The IUPAC name of (2S,4S)-2-ethoxy-4-methyl-1,3-oxathiolan-5-one (CID 124629986) is (2S,4S)-2-ethoxy-4-methyl-1,3-oxathiolan-5-one.
What is the SMILES notation for (2S,4S)-2-ethoxy-4-methyl-1,3-oxathiolan-5-one?
The canonical SMILES for (2S,4S)-2-ethoxy-4-methyl-1,3-oxathiolan-5-one is CCO[C@H]1OC(=O)[C@H](C)S1.
What is the InChIKey of (2S,4S)-2-ethoxy-4-methyl-1,3-oxathiolan-5-one?
The InChIKey is QJUIPGBPPKNOID-NJGYIYPDSA-N. The full InChI is InChI=1S/C6H10O3S/c1-3-8-6-9-5(7)4(2)10-6/h4,6H,3H2,1-2H3/t4-,6-/m0/s1.
What are the key properties of (2S,4S)-2-ethoxy-4-methyl-1,3-oxathiolan-5-one?
(2S,4S)-2-ethoxy-4-methyl-1,3-oxathiolan-5-one has a molecular weight of 162.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-ethoxy-4-methyl-1,3-oxathiolan-5-one is sourced from PubChem (CID 124629986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).