(2S,3S)-2-ethyl-3-methoxythiolane

C7H14OS — CID 54356410

IUPAC(2S,3S)-2-ethyl-3-methoxythiolane
SMILESCC[C@@H]1SCC[C@@H]1OC
InChIInChI=1S/C7H14OS/c1-3-7-6(8-2)4-5-9-7/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyUJKGXZYSMNGQQH-BQBZGAKWSA-N
MW146.25 g/mol
LogP1.92
Rot. Bonds2

About (2S,3S)-2-ethyl-3-methoxythiolane

(2S,3S)-2-ethyl-3-methoxythiolane (PubChem CID 54356410) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (2S,3S)-2-ethyl-3-methoxythiolane.

Molecular Properties

Compound Name(2S,3S)-2-ethyl-3-methoxythiolane
PubChem CID54356410
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(2S,3S)-2-ethyl-3-methoxythiolane
SMILESCC[C@@H]1SCC[C@@H]1OC
InChIInChI=1S/C7H14OS/c1-3-7-6(8-2)4-5-9-7/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyUJKGXZYSMNGQQH-BQBZGAKWSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-ethyl-3-methoxythiolane?
The IUPAC name of (2S,3S)-2-ethyl-3-methoxythiolane (CID 54356410) is (2S,3S)-2-ethyl-3-methoxythiolane.
What is the SMILES notation for (2S,3S)-2-ethyl-3-methoxythiolane?
The canonical SMILES for (2S,3S)-2-ethyl-3-methoxythiolane is CC[C@@H]1SCC[C@@H]1OC.
What is the InChIKey of (2S,3S)-2-ethyl-3-methoxythiolane?
The InChIKey is UJKGXZYSMNGQQH-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-7-6(8-2)4-5-9-7/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-2-ethyl-3-methoxythiolane?
(2S,3S)-2-ethyl-3-methoxythiolane has a molecular weight of 146.25 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-ethyl-3-methoxythiolane is sourced from PubChem (CID 54356410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).