(2S,3R)-2-(methylsulfanylmethyl)-3-propyloxirane

C7H14OS — CID 15204404

IUPAC(2S,3R)-2-(methylsulfanylmethyl)-3-propyloxirane
SMILESCCC[C@H]1O[C@@H]1CSC
InChIInChI=1S/C7H14OS/c1-3-4-6-7(8-6)5-9-2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyYSCCUDQIZKPALZ-RNFRBKRXSA-N
MW146.25 g/mol
LogP1.92
Rot. Bonds4

About (2S,3R)-2-(methylsulfanylmethyl)-3-propyloxirane

(2S,3R)-2-(methylsulfanylmethyl)-3-propyloxirane (PubChem CID 15204404) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (2S,3R)-2-(methylsulfanylmethyl)-3-propyloxirane.

Molecular Properties

Compound Name(2S,3R)-2-(methylsulfanylmethyl)-3-propyloxirane
PubChem CID15204404
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(2S,3R)-2-(methylsulfanylmethyl)-3-propyloxirane
SMILESCCC[C@H]1O[C@@H]1CSC
InChIInChI=1S/C7H14OS/c1-3-4-6-7(8-6)5-9-2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyYSCCUDQIZKPALZ-RNFRBKRXSA-N
XLogP1.92
TPSA12.53 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 (2S,3R)-2-(methylsulfanylmethyl)-3-propyloxirane?
The IUPAC name of (2S,3R)-2-(methylsulfanylmethyl)-3-propyloxirane (CID 15204404) is (2S,3R)-2-(methylsulfanylmethyl)-3-propyloxirane.
What is the SMILES notation for (2S,3R)-2-(methylsulfanylmethyl)-3-propyloxirane?
The canonical SMILES for (2S,3R)-2-(methylsulfanylmethyl)-3-propyloxirane is CCC[C@H]1O[C@@H]1CSC.
What is the InChIKey of (2S,3R)-2-(methylsulfanylmethyl)-3-propyloxirane?
The InChIKey is YSCCUDQIZKPALZ-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-4-6-7(8-6)5-9-2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (2S,3R)-2-(methylsulfanylmethyl)-3-propyloxirane?
(2S,3R)-2-(methylsulfanylmethyl)-3-propyloxirane 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 (2S,3R)-2-(methylsulfanylmethyl)-3-propyloxirane is sourced from PubChem (CID 15204404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).