4-hydroxy-1,3-oxazolidine-2-thione

C3H5NO2S — CID 87148419

IUPAC4-hydroxy-1,3-oxazolidine-2-thione
SMILESOC1COC(=S)N1
InChIInChI=1S/C3H5NO2S/c5-2-1-6-3(7)4-2/h2,5H,1H2,(H,4,7)
InChIKeyDCVXAIYBSKCVQR-UHFFFAOYSA-N
MW119.14 g/mol
LogP-0.79
Rot. Bonds

About 4-hydroxy-1,3-oxazolidine-2-thione

4-hydroxy-1,3-oxazolidine-2-thione (PubChem CID 87148419) has the molecular formula C3H5NO2S and a molecular weight of 119.14 g/mol. Its IUPAC name is 4-hydroxy-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name4-hydroxy-1,3-oxazolidine-2-thione
PubChem CID87148419
Molecular FormulaC3H5NO2S
Molecular Weight119.14 g/mol
Exact Mass119.00
IUPAC Name4-hydroxy-1,3-oxazolidine-2-thione
SMILESOC1COC(=S)N1
InChIInChI=1S/C3H5NO2S/c5-2-1-6-3(7)4-2/h2,5H,1H2,(H,4,7)
InChIKeyDCVXAIYBSKCVQR-UHFFFAOYSA-N
XLogP-0.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yl-1,3-oxazolidine-2-thione
CID 3468453
(4aS,8aS)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazine-2-thione
CID 131144176
ethane;4-phenyl-1,3-oxazolidine-2-thione
CID 54377215
5-methyl-1,3-oxazinane-2-thione
CID 143100001
oxazetidin-3-ol
CID 141182834
8-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3,5-diol
CID 156571183
8-ethyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-ol
CID 91348622
(5R,6R,7R,8R,8aR)-5,6,7,8-tetrahydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3-thione
CID 11160354
(2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol
CID 102312079
(3S,4S)-2-methylideneoxolane-3,4-diol
CID 58602405
2,3,4,5-tetrahydro-1,4-benzoxazepin-3-ol
CID 86769190
4-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1,3-dihydroimidazole-2-thione
CID 134613200

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,3-oxazolidine-2-thione?
The IUPAC name of 4-hydroxy-1,3-oxazolidine-2-thione (CID 87148419) is 4-hydroxy-1,3-oxazolidine-2-thione.
What is the SMILES notation for 4-hydroxy-1,3-oxazolidine-2-thione?
The canonical SMILES for 4-hydroxy-1,3-oxazolidine-2-thione is OC1COC(=S)N1.
What is the InChIKey of 4-hydroxy-1,3-oxazolidine-2-thione?
The InChIKey is DCVXAIYBSKCVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2S/c5-2-1-6-3(7)4-2/h2,5H,1H2,(H,4,7).
What are the key properties of 4-hydroxy-1,3-oxazolidine-2-thione?
4-hydroxy-1,3-oxazolidine-2-thione has a molecular weight of 119.14 g/mol, XLogP of -0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3-oxazolidine-2-thione is sourced from PubChem (CID 87148419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).