4-propan-2-yl-1,3-oxazolidine-2-thione

C6H11NOS — CID 3468453

IUPAC4-propan-2-yl-1,3-oxazolidine-2-thione
SMILESCC(C)C1COC(=S)N1
InChIInChI=1S/C6H11NOS/c1-4(2)5-3-8-6(9)7-5/h4-5H,3H2,1-2H3,(H,7,9)
InChIKeyCIRDXQWBLPPFPN-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.92
Rot. Bonds1

About 4-propan-2-yl-1,3-oxazolidine-2-thione

4-propan-2-yl-1,3-oxazolidine-2-thione (PubChem CID 3468453) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 4-propan-2-yl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name4-propan-2-yl-1,3-oxazolidine-2-thione
PubChem CID3468453
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name4-propan-2-yl-1,3-oxazolidine-2-thione
SMILESCC(C)C1COC(=S)N1
InChIInChI=1S/C6H11NOS/c1-4(2)5-3-8-6(9)7-5/h4-5H,3H2,1-2H3,(H,7,9)
InChIKeyCIRDXQWBLPPFPN-UHFFFAOYSA-N
XLogP0.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.92
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 4-propan-2-yl-1,3-oxazolidine-2-thione?
The IUPAC name of 4-propan-2-yl-1,3-oxazolidine-2-thione (CID 3468453) is 4-propan-2-yl-1,3-oxazolidine-2-thione.
What is the SMILES notation for 4-propan-2-yl-1,3-oxazolidine-2-thione?
The canonical SMILES for 4-propan-2-yl-1,3-oxazolidine-2-thione is CC(C)C1COC(=S)N1.
What is the InChIKey of 4-propan-2-yl-1,3-oxazolidine-2-thione?
The InChIKey is CIRDXQWBLPPFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-4(2)5-3-8-6(9)7-5/h4-5H,3H2,1-2H3,(H,7,9).
What are the key properties of 4-propan-2-yl-1,3-oxazolidine-2-thione?
4-propan-2-yl-1,3-oxazolidine-2-thione has a molecular weight of 145.23 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 3468453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).