(5S)-5-methyl-1,3-oxazolidine-2-thione

C4H7NOS — CID 87923157

IUPAC(5S)-5-methyl-1,3-oxazolidine-2-thione
SMILESC[C@H]1CNC(=S)O1
InChIInChI=1S/C4H7NOS/c1-3-2-5-4(7)6-3/h3H,2H2,1H3,(H,5,7)/t3-/m0/s1
InChIKeyMFXKJBZEEFHOQH-VKHMYHEASA-N
MW117.17 g/mol
LogP0.28
Rot. Bonds

About (5S)-5-methyl-1,3-oxazolidine-2-thione

(5S)-5-methyl-1,3-oxazolidine-2-thione (PubChem CID 87923157) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is (5S)-5-methyl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name(5S)-5-methyl-1,3-oxazolidine-2-thione
PubChem CID87923157
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC Name(5S)-5-methyl-1,3-oxazolidine-2-thione
SMILESC[C@H]1CNC(=S)O1
InChIInChI=1S/C4H7NOS/c1-3-2-5-4(7)6-3/h3H,2H2,1H3,(H,5,7)/t3-/m0/s1
InChIKeyMFXKJBZEEFHOQH-VKHMYHEASA-N
XLogP0.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 50.28
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 (5S)-5-methyl-1,3-oxazolidine-2-thione?
The IUPAC name of (5S)-5-methyl-1,3-oxazolidine-2-thione (CID 87923157) is (5S)-5-methyl-1,3-oxazolidine-2-thione.
What is the SMILES notation for (5S)-5-methyl-1,3-oxazolidine-2-thione?
The canonical SMILES for (5S)-5-methyl-1,3-oxazolidine-2-thione is C[C@H]1CNC(=S)O1.
What is the InChIKey of (5S)-5-methyl-1,3-oxazolidine-2-thione?
The InChIKey is MFXKJBZEEFHOQH-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7NOS/c1-3-2-5-4(7)6-3/h3H,2H2,1H3,(H,5,7)/t3-/m0/s1.
What are the key properties of (5S)-5-methyl-1,3-oxazolidine-2-thione?
(5S)-5-methyl-1,3-oxazolidine-2-thione has a molecular weight of 117.17 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 87923157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).