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

C6H10O2S — CID 51698386

IUPAC(4S)-2,2,4-trimethyl-1,3-oxathiolan-5-one
SMILESC[C@@H]1SC(C)(C)OC1=O
InChIInChI=1S/C6H10O2S/c1-4-5(7)8-6(2,3)9-4/h4H,1-3H3/t4-/m0/s1
InChIKeyNVOVXXLMWUHZQY-BYPYZUCNSA-N
MW146.21 g/mol
LogP1.40
Rot. Bonds

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

(4S)-2,2,4-trimethyl-1,3-oxathiolan-5-one (PubChem CID 51698386) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is (4S)-2,2,4-trimethyl-1,3-oxathiolan-5-one.

Molecular Properties

Compound Name(4S)-2,2,4-trimethyl-1,3-oxathiolan-5-one
PubChem CID51698386
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name(4S)-2,2,4-trimethyl-1,3-oxathiolan-5-one
SMILESC[C@@H]1SC(C)(C)OC1=O
InChIInChI=1S/C6H10O2S/c1-4-5(7)8-6(2,3)9-4/h4H,1-3H3/t4-/m0/s1
InChIKeyNVOVXXLMWUHZQY-BYPYZUCNSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2,4-trimethyl-1,3-oxathiolan-5-one?
The IUPAC name of (4S)-2,2,4-trimethyl-1,3-oxathiolan-5-one (CID 51698386) is (4S)-2,2,4-trimethyl-1,3-oxathiolan-5-one.
What is the SMILES notation for (4S)-2,2,4-trimethyl-1,3-oxathiolan-5-one?
The canonical SMILES for (4S)-2,2,4-trimethyl-1,3-oxathiolan-5-one is C[C@@H]1SC(C)(C)OC1=O.
What is the InChIKey of (4S)-2,2,4-trimethyl-1,3-oxathiolan-5-one?
The InChIKey is NVOVXXLMWUHZQY-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10O2S/c1-4-5(7)8-6(2,3)9-4/h4H,1-3H3/t4-/m0/s1.
What are the key properties of (4S)-2,2,4-trimethyl-1,3-oxathiolan-5-one?
(4S)-2,2,4-trimethyl-1,3-oxathiolan-5-one has a molecular weight of 146.21 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2,4-trimethyl-1,3-oxathiolan-5-one is sourced from PubChem (CID 51698386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).