(4S)-4-benzyl-3-methyl-1,3-oxazolidine-2-thione

C11H13NOS — CID 10655945

IUPAC(4S)-4-benzyl-3-methyl-1,3-oxazolidine-2-thione
SMILESCN1C(=S)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C11H13NOS/c1-12-10(8-13-11(12)14)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m0/s1
InChIKeyGIMJMUUWKQZCSY-JTQLQIEISA-N
MW207.30 g/mol
LogP1.84
Rot. Bonds2

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

(4S)-4-benzyl-3-methyl-1,3-oxazolidine-2-thione (PubChem CID 10655945) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is (4S)-4-benzyl-3-methyl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name(4S)-4-benzyl-3-methyl-1,3-oxazolidine-2-thione
PubChem CID10655945
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name(4S)-4-benzyl-3-methyl-1,3-oxazolidine-2-thione
SMILESCN1C(=S)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C11H13NOS/c1-12-10(8-13-11(12)14)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m0/s1
InChIKeyGIMJMUUWKQZCSY-JTQLQIEISA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.84
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)-4-benzyl-3-methyl-1,3-oxazolidine-2-thione?
The IUPAC name of (4S)-4-benzyl-3-methyl-1,3-oxazolidine-2-thione (CID 10655945) is (4S)-4-benzyl-3-methyl-1,3-oxazolidine-2-thione.
What is the SMILES notation for (4S)-4-benzyl-3-methyl-1,3-oxazolidine-2-thione?
The canonical SMILES for (4S)-4-benzyl-3-methyl-1,3-oxazolidine-2-thione is CN1C(=S)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-methyl-1,3-oxazolidine-2-thione?
The InChIKey is GIMJMUUWKQZCSY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NOS/c1-12-10(8-13-11(12)14)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-methyl-1,3-oxazolidine-2-thione?
(4S)-4-benzyl-3-methyl-1,3-oxazolidine-2-thione has a molecular weight of 207.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-methyl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 10655945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).