2-ethylthiomorpholine-4-sulfinic acid

C6H13NO2S2 — CID 89262146

IUPAC2-ethylthiomorpholine-4-sulfinic acid
SMILESCCC1CN(S(=O)O)CCS1
InChIInChI=1S/C6H13NO2S2/c1-2-6-5-7(11(8)9)3-4-10-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyWHSYOPFJJRBTMA-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.95
Rot. Bonds2

About 2-ethylthiomorpholine-4-sulfinic acid

2-ethylthiomorpholine-4-sulfinic acid (PubChem CID 89262146) has the molecular formula C6H13NO2S2 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-ethylthiomorpholine-4-sulfinic acid.

Molecular Properties

Compound Name2-ethylthiomorpholine-4-sulfinic acid
PubChem CID89262146
Molecular FormulaC6H13NO2S2
Molecular Weight195.31 g/mol
Exact Mass195.04
IUPAC Name2-ethylthiomorpholine-4-sulfinic acid
SMILESCCC1CN(S(=O)O)CCS1
InChIInChI=1S/C6H13NO2S2/c1-2-6-5-7(11(8)9)3-4-10-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyWHSYOPFJJRBTMA-UHFFFAOYSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-ethylthiomorpholine-4-sulfinic acid?
The IUPAC name of 2-ethylthiomorpholine-4-sulfinic acid (CID 89262146) is 2-ethylthiomorpholine-4-sulfinic acid.
What is the SMILES notation for 2-ethylthiomorpholine-4-sulfinic acid?
The canonical SMILES for 2-ethylthiomorpholine-4-sulfinic acid is CCC1CN(S(=O)O)CCS1.
What is the InChIKey of 2-ethylthiomorpholine-4-sulfinic acid?
The InChIKey is WHSYOPFJJRBTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S2/c1-2-6-5-7(11(8)9)3-4-10-6/h6H,2-5H2,1H3,(H,8,9).
What are the key properties of 2-ethylthiomorpholine-4-sulfinic acid?
2-ethylthiomorpholine-4-sulfinic acid has a molecular weight of 195.31 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylthiomorpholine-4-sulfinic acid is sourced from PubChem (CID 89262146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).