(2S,3S)-3-methoxy-2-methylthiolane

C6H12OS — CID 54477209

IUPAC(2S,3S)-3-methoxy-2-methylthiolane
SMILESCO[C@H]1CCS[C@H]1C
InChIInChI=1S/C6H12OS/c1-5-6(7-2)3-4-8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyXMKXDFNBLATEEG-WDSKDSINSA-N
MW132.23 g/mol
LogP1.53
Rot. Bonds1

About (2S,3S)-3-methoxy-2-methylthiolane

(2S,3S)-3-methoxy-2-methylthiolane (PubChem CID 54477209) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (2S,3S)-3-methoxy-2-methylthiolane.

Molecular Properties

Compound Name(2S,3S)-3-methoxy-2-methylthiolane
PubChem CID54477209
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(2S,3S)-3-methoxy-2-methylthiolane
SMILESCO[C@H]1CCS[C@H]1C
InChIInChI=1S/C6H12OS/c1-5-6(7-2)3-4-8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyXMKXDFNBLATEEG-WDSKDSINSA-N
XLogP1.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methoxy-2-methylthiolane?
The IUPAC name of (2S,3S)-3-methoxy-2-methylthiolane (CID 54477209) is (2S,3S)-3-methoxy-2-methylthiolane.
What is the SMILES notation for (2S,3S)-3-methoxy-2-methylthiolane?
The canonical SMILES for (2S,3S)-3-methoxy-2-methylthiolane is CO[C@H]1CCS[C@H]1C.
What is the InChIKey of (2S,3S)-3-methoxy-2-methylthiolane?
The InChIKey is XMKXDFNBLATEEG-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12OS/c1-5-6(7-2)3-4-8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-3-methoxy-2-methylthiolane?
(2S,3S)-3-methoxy-2-methylthiolane has a molecular weight of 132.23 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methoxy-2-methylthiolane is sourced from PubChem (CID 54477209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).