(4S,5S)-4,5-dimethyl-1,3-oxazolidine-2-thione

C5H9NOS — CID 55300849

IUPAC(4S,5S)-4,5-dimethyl-1,3-oxazolidine-2-thione
SMILESC[C@@H]1NC(=S)O[C@H]1C
InChIInChI=1S/C5H9NOS/c1-3-4(2)7-5(8)6-3/h3-4H,1-2H3,(H,6,8)/t3-,4-/m0/s1
InChIKeyJJKNAKGJWMEEFE-IMJSIDKUSA-N
MW131.20 g/mol
LogP0.67
Rot. Bonds

About (4S,5S)-4,5-dimethyl-1,3-oxazolidine-2-thione

(4S,5S)-4,5-dimethyl-1,3-oxazolidine-2-thione (PubChem CID 55300849) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is (4S,5S)-4,5-dimethyl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name(4S,5S)-4,5-dimethyl-1,3-oxazolidine-2-thione
PubChem CID55300849
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name(4S,5S)-4,5-dimethyl-1,3-oxazolidine-2-thione
SMILESC[C@@H]1NC(=S)O[C@H]1C
InChIInChI=1S/C5H9NOS/c1-3-4(2)7-5(8)6-3/h3-4H,1-2H3,(H,6,8)/t3-,4-/m0/s1
InChIKeyJJKNAKGJWMEEFE-IMJSIDKUSA-N
XLogP0.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,5S)-4,5-dimethyl-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 (4S,5S)-4,5-dimethyl-1,3-oxazolidine-2-thione?
The IUPAC name of (4S,5S)-4,5-dimethyl-1,3-oxazolidine-2-thione (CID 55300849) is (4S,5S)-4,5-dimethyl-1,3-oxazolidine-2-thione.
What is the SMILES notation for (4S,5S)-4,5-dimethyl-1,3-oxazolidine-2-thione?
The canonical SMILES for (4S,5S)-4,5-dimethyl-1,3-oxazolidine-2-thione is C[C@@H]1NC(=S)O[C@H]1C.
What is the InChIKey of (4S,5S)-4,5-dimethyl-1,3-oxazolidine-2-thione?
The InChIKey is JJKNAKGJWMEEFE-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H9NOS/c1-3-4(2)7-5(8)6-3/h3-4H,1-2H3,(H,6,8)/t3-,4-/m0/s1.
What are the key properties of (4S,5S)-4,5-dimethyl-1,3-oxazolidine-2-thione?
(4S,5S)-4,5-dimethyl-1,3-oxazolidine-2-thione has a molecular weight of 131.20 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-dimethyl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 55300849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).