2-sulfanylethanesulfinate

C2H5O2S2- — CID 15646737

IUPAC2-sulfanylethanesulfinate
SMILESO=S([O-])CCS
InChIInChI=1S/C2H6O2S2/c3-6(4)2-1-5/h5H,1-2H2,(H,3,4)/p-1
InChIKeyIUPGVUWLKAJBTJ-UHFFFAOYSA-M
MW125.19 g/mol
LogP-0.20
Rot. Bonds2

About 2-sulfanylethanesulfinate

2-sulfanylethanesulfinate (PubChem CID 15646737) has the molecular formula C2H5O2S2- and a molecular weight of 125.19 g/mol. Its IUPAC name is 2-sulfanylethanesulfinate.

Molecular Properties

Compound Name2-sulfanylethanesulfinate
PubChem CID15646737
Molecular FormulaC2H5O2S2-
Molecular Weight125.19 g/mol
Exact Mass124.97
IUPAC Name2-sulfanylethanesulfinate
SMILESO=S([O-])CCS
InChIInChI=1S/C2H6O2S2/c3-6(4)2-1-5/h5H,1-2H2,(H,3,4)/p-1
InChIKeyIUPGVUWLKAJBTJ-UHFFFAOYSA-M
XLogP-0.20
TPSA40.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylethanesulfinate?
The IUPAC name of 2-sulfanylethanesulfinate (CID 15646737) is 2-sulfanylethanesulfinate.
What is the SMILES notation for 2-sulfanylethanesulfinate?
The canonical SMILES for 2-sulfanylethanesulfinate is O=S([O-])CCS.
What is the InChIKey of 2-sulfanylethanesulfinate?
The InChIKey is IUPGVUWLKAJBTJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O2S2/c3-6(4)2-1-5/h5H,1-2H2,(H,3,4)/p-1.
What are the key properties of 2-sulfanylethanesulfinate?
2-sulfanylethanesulfinate has a molecular weight of 125.19 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylethanesulfinate is sourced from PubChem (CID 15646737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).