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

C5H8O2S — CID 23262138

IUPAC(2S,4S)-2,4-dimethyl-1,3-oxathiolan-5-one
SMILESC[C@@H]1S[C@@H](C)OC1=O
InChIInChI=1S/C5H8O2S/c1-3-5(6)7-4(2)8-3/h3-4H,1-2H3/t3-,4-/m0/s1
InChIKeyNFCVBGQKCXAEPW-IMJSIDKUSA-N
MW132.18 g/mol
LogP1.01
Rot. Bonds

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

(2S,4S)-2,4-dimethyl-1,3-oxathiolan-5-one (PubChem CID 23262138) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is (2S,4S)-2,4-dimethyl-1,3-oxathiolan-5-one.

Molecular Properties

Compound Name(2S,4S)-2,4-dimethyl-1,3-oxathiolan-5-one
PubChem CID23262138
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name(2S,4S)-2,4-dimethyl-1,3-oxathiolan-5-one
SMILESC[C@@H]1S[C@@H](C)OC1=O
InChIInChI=1S/C5H8O2S/c1-3-5(6)7-4(2)8-3/h3-4H,1-2H3/t3-,4-/m0/s1
InChIKeyNFCVBGQKCXAEPW-IMJSIDKUSA-N
XLogP1.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2,4-dimethyl-1,3-oxathiolan-5-one?
The IUPAC name of (2S,4S)-2,4-dimethyl-1,3-oxathiolan-5-one (CID 23262138) is (2S,4S)-2,4-dimethyl-1,3-oxathiolan-5-one.
What is the SMILES notation for (2S,4S)-2,4-dimethyl-1,3-oxathiolan-5-one?
The canonical SMILES for (2S,4S)-2,4-dimethyl-1,3-oxathiolan-5-one is C[C@@H]1S[C@@H](C)OC1=O.
What is the InChIKey of (2S,4S)-2,4-dimethyl-1,3-oxathiolan-5-one?
The InChIKey is NFCVBGQKCXAEPW-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H8O2S/c1-3-5(6)7-4(2)8-3/h3-4H,1-2H3/t3-,4-/m0/s1.
What are the key properties of (2S,4S)-2,4-dimethyl-1,3-oxathiolan-5-one?
(2S,4S)-2,4-dimethyl-1,3-oxathiolan-5-one has a molecular weight of 132.18 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2,4-dimethyl-1,3-oxathiolan-5-one is sourced from PubChem (CID 23262138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).