3-oxido-1,3-thiazolidin-3-ium-2-ol

C3H7NO2S — CID 173197713

IUPAC3-oxido-1,3-thiazolidin-3-ium-2-ol
SMILES[O-][NH+]1CCSC1O
InChIInChI=1S/C3H7NO2S/c5-3-4(6)1-2-7-3/h3-5H,1-2H2
InChIKeyJXJHCFOUWXTHSB-UHFFFAOYSA-N
MW121.16 g/mol
LogP-1.61
Rot. Bonds

About 3-oxido-1,3-thiazolidin-3-ium-2-ol

3-oxido-1,3-thiazolidin-3-ium-2-ol (PubChem CID 173197713) has the molecular formula C3H7NO2S and a molecular weight of 121.16 g/mol. Its IUPAC name is 3-oxido-1,3-thiazolidin-3-ium-2-ol.

Molecular Properties

Compound Name3-oxido-1,3-thiazolidin-3-ium-2-ol
PubChem CID173197713
Molecular FormulaC3H7NO2S
Molecular Weight121.16 g/mol
Exact Mass121.02
IUPAC Name3-oxido-1,3-thiazolidin-3-ium-2-ol
SMILES[O-][NH+]1CCSC1O
InChIInChI=1S/C3H7NO2S/c5-3-4(6)1-2-7-3/h3-5H,1-2H2
InChIKeyJXJHCFOUWXTHSB-UHFFFAOYSA-N
XLogP-1.61
TPSA47.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxido-1,3-thiazolidin-3-ium-2-ol?
The IUPAC name of 3-oxido-1,3-thiazolidin-3-ium-2-ol (CID 173197713) is 3-oxido-1,3-thiazolidin-3-ium-2-ol.
What is the SMILES notation for 3-oxido-1,3-thiazolidin-3-ium-2-ol?
The canonical SMILES for 3-oxido-1,3-thiazolidin-3-ium-2-ol is [O-][NH+]1CCSC1O.
What is the InChIKey of 3-oxido-1,3-thiazolidin-3-ium-2-ol?
The InChIKey is JXJHCFOUWXTHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S/c5-3-4(6)1-2-7-3/h3-5H,1-2H2.
What are the key properties of 3-oxido-1,3-thiazolidin-3-ium-2-ol?
3-oxido-1,3-thiazolidin-3-ium-2-ol has a molecular weight of 121.16 g/mol, XLogP of -1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxido-1,3-thiazolidin-3-ium-2-ol is sourced from PubChem (CID 173197713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).