(4S)-4-butan-2-yl-1,3-oxazolidine-2-thione

C7H13NOS — CID 139221157

IUPAC(4S)-4-butan-2-yl-1,3-oxazolidine-2-thione
SMILESCCC(C)[C@H]1COC(=S)N1
InChIInChI=1S/C7H13NOS/c1-3-5(2)6-4-9-7(10)8-6/h5-6H,3-4H2,1-2H3,(H,8,10)/t5?,6-/m1/s1
InChIKeyUTRIXNRREBKZHK-PRJDIBJQSA-N
MW159.25 g/mol
LogP1.31
Rot. Bonds2

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

(4S)-4-butan-2-yl-1,3-oxazolidine-2-thione (PubChem CID 139221157) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is (4S)-4-butan-2-yl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name(4S)-4-butan-2-yl-1,3-oxazolidine-2-thione
PubChem CID139221157
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name(4S)-4-butan-2-yl-1,3-oxazolidine-2-thione
SMILESCCC(C)[C@H]1COC(=S)N1
InChIInChI=1S/C7H13NOS/c1-3-5(2)6-4-9-7(10)8-6/h5-6H,3-4H2,1-2H3,(H,8,10)/t5?,6-/m1/s1
InChIKeyUTRIXNRREBKZHK-PRJDIBJQSA-N
XLogP1.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.31
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 (4S)-4-butan-2-yl-1,3-oxazolidine-2-thione?
The IUPAC name of (4S)-4-butan-2-yl-1,3-oxazolidine-2-thione (CID 139221157) is (4S)-4-butan-2-yl-1,3-oxazolidine-2-thione.
What is the SMILES notation for (4S)-4-butan-2-yl-1,3-oxazolidine-2-thione?
The canonical SMILES for (4S)-4-butan-2-yl-1,3-oxazolidine-2-thione is CCC(C)[C@H]1COC(=S)N1.
What is the InChIKey of (4S)-4-butan-2-yl-1,3-oxazolidine-2-thione?
The InChIKey is UTRIXNRREBKZHK-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H13NOS/c1-3-5(2)6-4-9-7(10)8-6/h5-6H,3-4H2,1-2H3,(H,8,10)/t5?,6-/m1/s1.
What are the key properties of (4S)-4-butan-2-yl-1,3-oxazolidine-2-thione?
(4S)-4-butan-2-yl-1,3-oxazolidine-2-thione has a molecular weight of 159.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-butan-2-yl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 139221157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).