(2R,3S)-2-ethyl-3-(2-methoxyethyl)thiirane

C7H14OS — CID 11355553

IUPAC(2R,3S)-2-ethyl-3-(2-methoxyethyl)thiirane
SMILESCC[C@H]1S[C@H]1CCOC
InChIInChI=1S/C7H14OS/c1-3-6-7(9-6)4-5-8-2/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyXBTDLLKONSPIBM-RQJHMYQMSA-N
MW146.25 g/mol
LogP1.92
Rot. Bonds4

About (2R,3S)-2-ethyl-3-(2-methoxyethyl)thiirane

(2R,3S)-2-ethyl-3-(2-methoxyethyl)thiirane (PubChem CID 11355553) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (2R,3S)-2-ethyl-3-(2-methoxyethyl)thiirane.

Molecular Properties

Compound Name(2R,3S)-2-ethyl-3-(2-methoxyethyl)thiirane
PubChem CID11355553
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(2R,3S)-2-ethyl-3-(2-methoxyethyl)thiirane
SMILESCC[C@H]1S[C@H]1CCOC
InChIInChI=1S/C7H14OS/c1-3-6-7(9-6)4-5-8-2/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyXBTDLLKONSPIBM-RQJHMYQMSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethyl-3-(2-methoxyethyl)thiirane?
The IUPAC name of (2R,3S)-2-ethyl-3-(2-methoxyethyl)thiirane (CID 11355553) is (2R,3S)-2-ethyl-3-(2-methoxyethyl)thiirane.
What is the SMILES notation for (2R,3S)-2-ethyl-3-(2-methoxyethyl)thiirane?
The canonical SMILES for (2R,3S)-2-ethyl-3-(2-methoxyethyl)thiirane is CC[C@H]1S[C@H]1CCOC.
What is the InChIKey of (2R,3S)-2-ethyl-3-(2-methoxyethyl)thiirane?
The InChIKey is XBTDLLKONSPIBM-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-6-7(9-6)4-5-8-2/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of (2R,3S)-2-ethyl-3-(2-methoxyethyl)thiirane?
(2R,3S)-2-ethyl-3-(2-methoxyethyl)thiirane has a molecular weight of 146.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethyl-3-(2-methoxyethyl)thiirane is sourced from PubChem (CID 11355553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).