5-tert-butyl-1,3-oxazolidine-2-thione

C7H13NOS — CID 22414332

IUPAC5-tert-butyl-1,3-oxazolidine-2-thione
SMILESCC(C)(C)C1CNC(=S)O1
InChIInChI=1S/C7H13NOS/c1-7(2,3)5-4-8-6(10)9-5/h5H,4H2,1-3H3,(H,8,10)
InChIKeyBAFJOSVBICCLLK-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.31
Rot. Bonds

About 5-tert-butyl-1,3-oxazolidine-2-thione

5-tert-butyl-1,3-oxazolidine-2-thione (PubChem CID 22414332) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 5-tert-butyl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name5-tert-butyl-1,3-oxazolidine-2-thione
PubChem CID22414332
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name5-tert-butyl-1,3-oxazolidine-2-thione
SMILESCC(C)(C)C1CNC(=S)O1
InChIInChI=1S/C7H13NOS/c1-7(2,3)5-4-8-6(10)9-5/h5H,4H2,1-3H3,(H,8,10)
InChIKeyBAFJOSVBICCLLK-UHFFFAOYSA-N
XLogP1.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.31
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 5-tert-butyl-1,3-oxazolidine-2-thione?
The IUPAC name of 5-tert-butyl-1,3-oxazolidine-2-thione (CID 22414332) is 5-tert-butyl-1,3-oxazolidine-2-thione.
What is the SMILES notation for 5-tert-butyl-1,3-oxazolidine-2-thione?
The canonical SMILES for 5-tert-butyl-1,3-oxazolidine-2-thione is CC(C)(C)C1CNC(=S)O1.
What is the InChIKey of 5-tert-butyl-1,3-oxazolidine-2-thione?
The InChIKey is BAFJOSVBICCLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-7(2,3)5-4-8-6(10)9-5/h5H,4H2,1-3H3,(H,8,10).
What are the key properties of 5-tert-butyl-1,3-oxazolidine-2-thione?
5-tert-butyl-1,3-oxazolidine-2-thione has a molecular weight of 159.25 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 22414332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).