1,3-oxazolidine-4-thione

C3H5NOS — CID 22999678

IUPAC1,3-oxazolidine-4-thione
SMILESS=C1COCN1
InChIInChI=1S/C3H5NOS/c6-3-1-5-2-4-3/h1-2H2,(H,4,6)
InChIKeyAGTOXFRUGQYQCZ-UHFFFAOYSA-N
MW103.15 g/mol
LogP-0.11
Rot. Bonds

About 1,3-oxazolidine-4-thione

1,3-oxazolidine-4-thione (PubChem CID 22999678) has the molecular formula C3H5NOS and a molecular weight of 103.15 g/mol. Its IUPAC name is 1,3-oxazolidine-4-thione.

Molecular Properties

Compound Name1,3-oxazolidine-4-thione
PubChem CID22999678
Molecular FormulaC3H5NOS
Molecular Weight103.15 g/mol
Exact Mass103.01
IUPAC Name1,3-oxazolidine-4-thione
SMILESS=C1COCN1
InChIInChI=1S/C3H5NOS/c6-3-1-5-2-4-3/h1-2H2,(H,4,6)
InChIKeyAGTOXFRUGQYQCZ-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'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidine-4-thione?
The IUPAC name of 1,3-oxazolidine-4-thione (CID 22999678) is 1,3-oxazolidine-4-thione.
What is the SMILES notation for 1,3-oxazolidine-4-thione?
The canonical SMILES for 1,3-oxazolidine-4-thione is S=C1COCN1.
What is the InChIKey of 1,3-oxazolidine-4-thione?
The InChIKey is AGTOXFRUGQYQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NOS/c6-3-1-5-2-4-3/h1-2H2,(H,4,6).
What are the key properties of 1,3-oxazolidine-4-thione?
1,3-oxazolidine-4-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-4-thione is sourced from PubChem (CID 22999678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).