(4R)-4-ethyl-1,3-oxazolidine-2-thione

C5H9NOS — CID 15317336

IUPAC(4R)-4-ethyl-1,3-oxazolidine-2-thione
SMILESCC[C@@H]1COC(=S)N1
InChIInChI=1S/C5H9NOS/c1-2-4-3-7-5(8)6-4/h4H,2-3H2,1H3,(H,6,8)/t4-/m1/s1
InChIKeyIUQNMFMYZBLMEV-SCSAIBSYSA-N
MW131.20 g/mol
LogP0.67
Rot. Bonds1

About (4R)-4-ethyl-1,3-oxazolidine-2-thione

(4R)-4-ethyl-1,3-oxazolidine-2-thione (PubChem CID 15317336) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is (4R)-4-ethyl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name(4R)-4-ethyl-1,3-oxazolidine-2-thione
PubChem CID15317336
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name(4R)-4-ethyl-1,3-oxazolidine-2-thione
SMILESCC[C@@H]1COC(=S)N1
InChIInChI=1S/C5H9NOS/c1-2-4-3-7-5(8)6-4/h4H,2-3H2,1H3,(H,6,8)/t4-/m1/s1
InChIKeyIUQNMFMYZBLMEV-SCSAIBSYSA-N
XLogP0.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-1,3-oxazolidine-2-thione?
The IUPAC name of (4R)-4-ethyl-1,3-oxazolidine-2-thione (CID 15317336) is (4R)-4-ethyl-1,3-oxazolidine-2-thione.
What is the SMILES notation for (4R)-4-ethyl-1,3-oxazolidine-2-thione?
The canonical SMILES for (4R)-4-ethyl-1,3-oxazolidine-2-thione is CC[C@@H]1COC(=S)N1.
What is the InChIKey of (4R)-4-ethyl-1,3-oxazolidine-2-thione?
The InChIKey is IUQNMFMYZBLMEV-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-2-4-3-7-5(8)6-4/h4H,2-3H2,1H3,(H,6,8)/t4-/m1/s1.
What are the key properties of (4R)-4-ethyl-1,3-oxazolidine-2-thione?
(4R)-4-ethyl-1,3-oxazolidine-2-thione has a molecular weight of 131.20 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 15317336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).