thiomorpholine-4-sulfinate

C4H8NO2S2- — CID 23202395

IUPACthiomorpholine-4-sulfinate
SMILESO=S([O-])N1CCSCC1
InChIInChI=1S/C4H9NO2S2/c6-9(7)5-1-3-8-4-2-5/h1-4H2,(H,6,7)/p-1
InChIKeyKXRROTXHNGAVAD-UHFFFAOYSA-M
MW166.25 g/mol
LogP-0.17
Rot. Bonds1

About thiomorpholine-4-sulfinate

thiomorpholine-4-sulfinate (PubChem CID 23202395) has the molecular formula C4H8NO2S2- and a molecular weight of 166.25 g/mol. Its IUPAC name is thiomorpholine-4-sulfinate.

Molecular Properties

Compound Namethiomorpholine-4-sulfinate
PubChem CID23202395
Molecular FormulaC4H8NO2S2-
Molecular Weight166.25 g/mol
Exact Mass166.00
IUPAC Namethiomorpholine-4-sulfinate
SMILESO=S([O-])N1CCSCC1
InChIInChI=1S/C4H9NO2S2/c6-9(7)5-1-3-8-4-2-5/h1-4H2,(H,6,7)/p-1
InChIKeyKXRROTXHNGAVAD-UHFFFAOYSA-M
XLogP-0.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of thiomorpholine-4-sulfinate?
The IUPAC name of thiomorpholine-4-sulfinate (CID 23202395) is thiomorpholine-4-sulfinate.
What is the SMILES notation for thiomorpholine-4-sulfinate?
The canonical SMILES for thiomorpholine-4-sulfinate is O=S([O-])N1CCSCC1.
What is the InChIKey of thiomorpholine-4-sulfinate?
The InChIKey is KXRROTXHNGAVAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO2S2/c6-9(7)5-1-3-8-4-2-5/h1-4H2,(H,6,7)/p-1.
What are the key properties of thiomorpholine-4-sulfinate?
thiomorpholine-4-sulfinate has a molecular weight of 166.25 g/mol, XLogP of -0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholine-4-sulfinate is sourced from PubChem (CID 23202395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).