5-propyl-1,3-oxazolidine-2-thione

C6H11NOS — CID 55288532

IUPAC5-propyl-1,3-oxazolidine-2-thione
SMILESCCCC1CNC(=S)O1
InChIInChI=1S/C6H11NOS/c1-2-3-5-4-7-6(9)8-5/h5H,2-4H2,1H3,(H,7,9)
InChIKeyHHCCUJDUTHRQJW-UHFFFAOYSA-N
MW145.23 g/mol
LogP1.06
Rot. Bonds2

About 5-propyl-1,3-oxazolidine-2-thione

5-propyl-1,3-oxazolidine-2-thione (PubChem CID 55288532) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 5-propyl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name5-propyl-1,3-oxazolidine-2-thione
PubChem CID55288532
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name5-propyl-1,3-oxazolidine-2-thione
SMILESCCCC1CNC(=S)O1
InChIInChI=1S/C6H11NOS/c1-2-3-5-4-7-6(9)8-5/h5H,2-4H2,1H3,(H,7,9)
InChIKeyHHCCUJDUTHRQJW-UHFFFAOYSA-N
XLogP1.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 51.06
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-propyl-1,3-oxazolidine-2-thione?
The IUPAC name of 5-propyl-1,3-oxazolidine-2-thione (CID 55288532) is 5-propyl-1,3-oxazolidine-2-thione.
What is the SMILES notation for 5-propyl-1,3-oxazolidine-2-thione?
The canonical SMILES for 5-propyl-1,3-oxazolidine-2-thione is CCCC1CNC(=S)O1.
What is the InChIKey of 5-propyl-1,3-oxazolidine-2-thione?
The InChIKey is HHCCUJDUTHRQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-2-3-5-4-7-6(9)8-5/h5H,2-4H2,1H3,(H,7,9).
What are the key properties of 5-propyl-1,3-oxazolidine-2-thione?
5-propyl-1,3-oxazolidine-2-thione has a molecular weight of 145.23 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 55288532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).