1,3-oxazolidine-2-thione

C3H5NOS — CID 2733223

IUPAC1,3-oxazolidine-2-thione
SMILESS=C1NCCO1
InChIInChI=1S/C3H5NOS/c6-3-4-1-2-5-3/h1-2H2,(H,4,6)
InChIKeyUMURLIQHQSKULR-UHFFFAOYSA-N
MW103.15 g/mol
LogP-0.11
Rot. Bonds

About 1,3-oxazolidine-2-thione

1,3-oxazolidine-2-thione (PubChem CID 2733223) has the molecular formula C3H5NOS and a molecular weight of 103.15 g/mol. Its IUPAC name is 1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name1,3-oxazolidine-2-thione
PubChem CID2733223
Molecular FormulaC3H5NOS
Molecular Weight103.15 g/mol
Exact Mass103.01
IUPAC Name1,3-oxazolidine-2-thione
SMILESS=C1NCCO1
InChIInChI=1S/C3H5NOS/c6-3-4-1-2-5-3/h1-2H2,(H,4,6)
InChIKeyUMURLIQHQSKULR-UHFFFAOYSA-N
XLogP-0.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.15
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-oxazolidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidine-2-thione?
The IUPAC name of 1,3-oxazolidine-2-thione (CID 2733223) is 1,3-oxazolidine-2-thione.
What is the SMILES notation for 1,3-oxazolidine-2-thione?
The canonical SMILES for 1,3-oxazolidine-2-thione is S=C1NCCO1.
What is the InChIKey of 1,3-oxazolidine-2-thione?
The InChIKey is UMURLIQHQSKULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NOS/c6-3-4-1-2-5-3/h1-2H2,(H,4,6).
What are the key properties of 1,3-oxazolidine-2-thione?
1,3-oxazolidine-2-thione has a molecular weight of 103.15 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidine-2-thione is sourced from PubChem (CID 2733223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).