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

C5H9NOS — CID 93499658

IUPAC(4S)-3,4-dimethyl-1,3-oxazolidine-2-thione
SMILESC[C@H]1COC(=S)N1C
InChIInChI=1S/C5H9NOS/c1-4-3-7-5(8)6(4)2/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyDGZYLRMITQAHTA-BYPYZUCNSA-N
MW131.20 g/mol
LogP0.62
Rot. Bonds

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

(4S)-3,4-dimethyl-1,3-oxazolidine-2-thione (PubChem CID 93499658) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is (4S)-3,4-dimethyl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name(4S)-3,4-dimethyl-1,3-oxazolidine-2-thione
PubChem CID93499658
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name(4S)-3,4-dimethyl-1,3-oxazolidine-2-thione
SMILESC[C@H]1COC(=S)N1C
InChIInChI=1S/C5H9NOS/c1-4-3-7-5(8)6(4)2/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyDGZYLRMITQAHTA-BYPYZUCNSA-N
XLogP0.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.62
H-Bond Donors ≤ 50
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 (4S)-3,4-dimethyl-1,3-oxazolidine-2-thione?
The IUPAC name of (4S)-3,4-dimethyl-1,3-oxazolidine-2-thione (CID 93499658) is (4S)-3,4-dimethyl-1,3-oxazolidine-2-thione.
What is the SMILES notation for (4S)-3,4-dimethyl-1,3-oxazolidine-2-thione?
The canonical SMILES for (4S)-3,4-dimethyl-1,3-oxazolidine-2-thione is C[C@H]1COC(=S)N1C.
What is the InChIKey of (4S)-3,4-dimethyl-1,3-oxazolidine-2-thione?
The InChIKey is DGZYLRMITQAHTA-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NOS/c1-4-3-7-5(8)6(4)2/h4H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of (4S)-3,4-dimethyl-1,3-oxazolidine-2-thione?
(4S)-3,4-dimethyl-1,3-oxazolidine-2-thione has a molecular weight of 131.20 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,4-dimethyl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 93499658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).